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Sugar acids and derivatives

Sugar acids and derivatives

Monosacharides with a carboxyl group at one or both ends of their chain; includes aldonic, ulosonic, uronic, and aldaric acids; may act as sequestering agents and binders, corrosion inhibitors, biodegradable chelators for pharmaceuticals, or pH regulators.
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1 – 15 of 33 results
1

Heparin sodium, Thermo Scientific Chemicals

CAS: 9041-08-1 MDL Number: MFCD00081689

CAS 9041-08-1
MDL Number MFCD00081689
2

Thermo Scientific Chemicals Alginic acid

CAS: 9005-32-7 Molecular Formula: (C6H8O7)A(C6H8O7)B MDL Number: MFCD00081309 Synonym: 2r,3r,4r,5s,6s-3-2r,3s,4r,5s,6s-6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl oxy-4,5-dihydroxy-6-methyloxane-2-carboxylic acid

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CAS 9005-32-7
MDL Number MFCD00081309
Synonym 2r,3r,4r,5s,6s-3-2r,3s,4r,5s,6s-6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl oxy-4,5-dihydroxy-6-methyloxane-2-carboxylic acid
Molecular Formula (C6H8O7)A(C6H8O7)B
3

D-Glucuronic acid, 98+%, Thermo Scientific Chemicals

CAS: 6556-12-3 Molecular Formula: C6H10O7 Molecular Weight (g/mol): 194.14 MDL Number: MFCD00077778 InChI Key: IAJILQKETJEXLJ-QTBDOELSSA-N Synonym: 2s,3s,4s,5r-2,3,4,5-tetrahydroxy-6-oxohexanoic acid,aldehydo-d-glucuronic acid,unii-8a5d83q4rw,rel,d-glucuronic acid,d-+ glucuronic acid,d03jeu,d-glucuronic acid 5g PubChem CID: 65041 ChEBI: CHEBI:47953 IUPAC Name: (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid SMILES: C(=O)C(C(C(C(C(=O)O)O)O)O)O

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PubChem CID 65041
CAS 6556-12-3
Molecular Weight (g/mol) 194.14
ChEBI CHEBI:47953
MDL Number MFCD00077778
SMILES C(=O)C(C(C(C(C(=O)O)O)O)O)O
Synonym 2s,3s,4s,5r-2,3,4,5-tetrahydroxy-6-oxohexanoic acid,aldehydo-d-glucuronic acid,unii-8a5d83q4rw,rel,d-glucuronic acid,d-+ glucuronic acid,d03jeu,d-glucuronic acid 5g
IUPAC Name (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
InChI Key IAJILQKETJEXLJ-QTBDOELSSA-N
Molecular Formula C6H10O7
4

D-Glucuronic acid, 98%, Thermo Scientific Chemicals

CAS: 6556-12-3 Molecular Formula: C6H10O7 Molecular Weight (g/mol): 194.14 MDL Number: MFCD00064368 InChI Key: IAJILQKETJEXLJ-QTBDOELSSA-N ChEBI: CHEBI:47953 IUPAC Name: (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

CAS 6556-12-3
Molecular Weight (g/mol) 194.14
ChEBI CHEBI:47953
MDL Number MFCD00064368
IUPAC Name (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
InChI Key IAJILQKETJEXLJ-QTBDOELSSA-N
Molecular Formula C6H10O7
5

4-Methylumbelliferyl-β-D-glucuronide dihydrate, 98%, Thermo Scientific Chemicals

CAS: 6160-80-1 Molecular Formula: C16H16O9·2H2O Molecular Weight (g/mol): 388.33 InChI Key: ARQXEQLMMNGFDU-JHZZJYKESA-N Synonym: 4-methylumbelliferyl-beta-d-glucuronide,4-methylumbelliferyl glucuronide,4-methylumbelliferone glucuronide,mug trihydrate,4-methylumbelliferyl beta-glucuronide,4-methyl-2-oxo-2h-1-benzopyran-7-yl beta-d-glucopyranosiduronic acid,2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxo-2h-chromen-7-yl oxy tetrahydro-2h-pyran-2-carboxylic acid,2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxo-chromen-7-yl oxy-tetrahydropyran-2-carboxylic acid,2s,3s,4s,6s,5r-3,4,5-trihydroxy-6-4-methyl-2-oxochromen-7-yloxy-2h-3,4,5,6-tetrahydropyran-2-carboxylic acid,2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxochromen-7-yl oxy oxane-2-carboxylic acid PubChem CID: 91553 ChEBI: CHEBI:1904 IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O

PubChem CID 91553
CAS 6160-80-1
Molecular Weight (g/mol) 388.33
ChEBI CHEBI:1904
SMILES CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O
Synonym 4-methylumbelliferyl-beta-d-glucuronide,4-methylumbelliferyl glucuronide,4-methylumbelliferone glucuronide,mug trihydrate,4-methylumbelliferyl beta-glucuronide,4-methyl-2-oxo-2h-1-benzopyran-7-yl beta-d-glucopyranosiduronic acid,2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxo-2h-chromen-7-yl oxy tetrahydro-2h-pyran-2-carboxylic acid,2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxo-chromen-7-yl oxy-tetrahydropyran-2-carboxylic acid,2s,3s,4s,6s,5r-3,4,5-trihydroxy-6-4-methyl-2-oxochromen-7-yloxy-2h-3,4,5,6-tetrahydropyran-2-carboxylic acid,2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxochromen-7-yl oxy oxane-2-carboxylic acid
IUPAC Name (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
InChI Key ARQXEQLMMNGFDU-JHZZJYKESA-N
Molecular Formula C16H16O9·2H2O
6

D-Galacturonic acid monohydrate, 97%, Thermo Scientific Chemicals

CAS: 91510-62-2 Molecular Formula: C6H9O7 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00071585 InChI Key: AEMOLEFTQBMNLQ-DTEWXJGMSA-M Synonym: d-+-galacturonic acid monohydrate PubChem CID: 91872458 IUPAC Name: (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid;hydrate SMILES: *

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PubChem CID 91872458
CAS 91510-62-2
Molecular Weight (g/mol) 0.00
MDL Number MFCD00071585
SMILES *
Synonym d-+-galacturonic acid monohydrate
IUPAC Name (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid;hydrate
InChI Key AEMOLEFTQBMNLQ-DTEWXJGMSA-M
Molecular Formula C6H9O7
7

Acetobromo-alpha-D-glucuronic acid methyl ester, 98%, Thermo Scientific Chemicals

CAS: 21085-72-3 Molecular Formula: C13H17BrO9 Molecular Weight (g/mol): 397.17 InChI Key: GWTNLHGTLIBHHZ-SVNGYHJRSA-N Synonym: 2r,3r,4s,5s,6s-2-bromo-6-methoxycarbonyl tetrahydro-2h-pyran-3,4,5-triyl triacetate,a-acetobromoglucuronate,acetobromo-alpha-d-glucuronic acid methyl ester,bromomethyltriacetyl glucuronate,methyl acetobromo-alpha-d-glucuronate,methyl acetobromo-alpha-d-glucuronate,methyl 2s,3s,4s,5r,6r-3,4,5-tris acetyloxy-6-bromooxane-2-carboxylate,methyl 2s,3s,4s,5r,6r-3,4,5-tris acetyloxy-6-bromooxane-2-carboxylate,zlchem 1315,methyl,methyl PubChem CID: 88785 IUPAC Name: methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate SMILES: CC(=O)OC1C(C(OC(C1OC(=O)C)Br)C(=O)OC)OC(=O)C

PubChem CID 88785
CAS 21085-72-3
Molecular Weight (g/mol) 397.17
SMILES CC(=O)OC1C(C(OC(C1OC(=O)C)Br)C(=O)OC)OC(=O)C
Synonym 2r,3r,4s,5s,6s-2-bromo-6-methoxycarbonyl tetrahydro-2h-pyran-3,4,5-triyl triacetate,a-acetobromoglucuronate,acetobromo-alpha-d-glucuronic acid methyl ester,bromomethyltriacetyl glucuronate,methyl acetobromo-alpha-d-glucuronate,methyl acetobromo-alpha-d-glucuronate,methyl 2s,3s,4s,5r,6r-3,4,5-tris acetyloxy-6-bromooxane-2-carboxylate,methyl 2s,3s,4s,5r,6r-3,4,5-tris acetyloxy-6-bromooxane-2-carboxylate,zlchem 1315,methyl,methyl
IUPAC Name methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate
InChI Key GWTNLHGTLIBHHZ-SVNGYHJRSA-N
Molecular Formula C13H17BrO9
8

N-Acetylneuraminic acid, 99%, Thermo Scientific Chemicals

CAS: 131-48-6 Molecular Formula: C11H19NO9 Molecular Weight (g/mol): 309.271 MDL Number: MFCD00006620 InChI Key: SQVRNKJHWKZAKO-LFIUDZTESA-N Synonym: n-acetylneuramic acid,spectrum_000450,spectrum2_000559,spectrum4_000432,spectrum5_001326,spectrum2300147,2s,4s,5s,6s-5-acetamido-2,4-dihydroxy-6-2r-1,2,3-trihydroxypropyl oxane-2-carboxylic acid PubChem CID: 126963458 IUPAC Name: (4S,5S,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O

PubChem CID 126963458
CAS 131-48-6
Molecular Weight (g/mol) 309.271
MDL Number MFCD00006620
SMILES CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
Synonym n-acetylneuramic acid,spectrum_000450,spectrum2_000559,spectrum4_000432,spectrum5_001326,spectrum2300147,2s,4s,5s,6s-5-acetamido-2,4-dihydroxy-6-2r-1,2,3-trihydroxypropyl oxane-2-carboxylic acid
IUPAC Name (4S,5S,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
InChI Key SQVRNKJHWKZAKO-LFIUDZTESA-N
Molecular Formula C11H19NO9
9

Mucic acid, 98%, Thermo Scientific Chemicals

CAS: 526-99-8 Molecular Formula: C6H10O8 Molecular Weight (g/mol): 210.138 MDL Number: MFCD00004239 InChI Key: DSLZVSRJTYRBFB-DUHBMQHGSA-N Synonym: galactaric acid,mucic acid,2r,3s,4r,5s-2,3,4,5-tetrahydroxyhexanedioic acid,saccharolactic acid,mucicacid,unii-e149j5otif,d-galactaric acid,galactosaccharic acid,galactarate,meso-galactaric acid PubChem CID: 3037582 ChEBI: CHEBI:30852 IUPAC Name: (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid SMILES: C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O

PubChem CID 3037582
CAS 526-99-8
Molecular Weight (g/mol) 210.138
ChEBI CHEBI:30852
MDL Number MFCD00004239
SMILES C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O
Synonym galactaric acid,mucic acid,2r,3s,4r,5s-2,3,4,5-tetrahydroxyhexanedioic acid,saccharolactic acid,mucicacid,unii-e149j5otif,d-galactaric acid,galactosaccharic acid,galactarate,meso-galactaric acid
IUPAC Name (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
InChI Key DSLZVSRJTYRBFB-DUHBMQHGSA-N
Molecular Formula C6H10O8
10

D(+)-Glucuronic acid, sodium salt, monohydrate, 99%, Thermo Scientific Chemicals

CAS: 14984-34-0 Molecular Formula: C6H9NaO7·H2O Molecular Weight (g/mol): 234.14 MDL Number: MFCD00151051 InChI Key: QKHMTHNLNZGTSP-JSCKKFHOSA-N Synonym: sodium d-glucuronate PubChem CID: 87235405 IUPAC Name: sodium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid SMILES: C(=O)C(C(C(C(C(=O)O)O)O)O)O.[Na]

PubChem CID 87235405
CAS 14984-34-0
Molecular Weight (g/mol) 234.14
MDL Number MFCD00151051
SMILES C(=O)C(C(C(C(C(=O)O)O)O)O)O.[Na]
Synonym sodium d-glucuronate
IUPAC Name sodium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
InChI Key QKHMTHNLNZGTSP-JSCKKFHOSA-N
Molecular Formula C6H9NaO7·H2O
11

Mucic Acid 98%, Thermo Scientific Chemicals

CAS: 526-99-8 Molecular Formula: C6H10O8 Molecular Weight (g/mol): 210.138 MDL Number: MFCD00004239 InChI Key: DSLZVSRJTYRBFB-DUHBMQHGSA-N Synonym: galactaric acid,mucic acid,2r,3s,4r,5s-2,3,4,5-tetrahydroxyhexanedioic acid,saccharolactic acid,mucicacid,unii-e149j5otif,d-galactaric acid,galactosaccharic acid,galactarate,meso-galactaric acid PubChem CID: 3037582 ChEBI: CHEBI:30852 IUPAC Name: (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid SMILES: C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O

PubChem CID 3037582
CAS 526-99-8
Molecular Weight (g/mol) 210.138
ChEBI CHEBI:30852
MDL Number MFCD00004239
SMILES C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O
Synonym galactaric acid,mucic acid,2r,3s,4r,5s-2,3,4,5-tetrahydroxyhexanedioic acid,saccharolactic acid,mucicacid,unii-e149j5otif,d-galactaric acid,galactosaccharic acid,galactarate,meso-galactaric acid
IUPAC Name (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
InChI Key DSLZVSRJTYRBFB-DUHBMQHGSA-N
Molecular Formula C6H10O8
12

4-Methylumbelliferyl-beta-D-glucuronide, 98%, Thermo Scientific Chemicals

CAS: 6160-80-1 Molecular Formula: C16H16O9 Molecular Weight (g/mol): 352.295 MDL Number: MFCD00036772 InChI Key: ARQXEQLMMNGFDU-JHZZJYKESA-N Synonym: 4-methylumbelliferyl-beta-d-glucuronide,4-methylumbelliferyl glucuronide,4-methylumbelliferone glucuronide,mug trihydrate,4-methylumbelliferyl beta-glucuronide,4-methyl-2-oxo-2h-1-benzopyran-7-yl beta-d-glucopyranosiduronic acid,2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxo-2h-chromen-7-yl oxy tetrahydro-2h-pyran-2-carboxylic acid,2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxo-chromen-7-yl oxy-tetrahydropyran-2-carboxylic acid,2s,3s,4s,6s,5r-3,4,5-trihydroxy-6-4-methyl-2-oxochromen-7-yloxy-2h-3,4,5,6-tetrahydropyran-2-carboxylic acid,2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxochromen-7-yl oxy oxane-2-carboxylic acid PubChem CID: 91553 ChEBI: CHEBI:1904 IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O

PubChem CID 91553
CAS 6160-80-1
Molecular Weight (g/mol) 352.295
ChEBI CHEBI:1904
MDL Number MFCD00036772
SMILES CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O
Synonym 4-methylumbelliferyl-beta-d-glucuronide,4-methylumbelliferyl glucuronide,4-methylumbelliferone glucuronide,mug trihydrate,4-methylumbelliferyl beta-glucuronide,4-methyl-2-oxo-2h-1-benzopyran-7-yl beta-d-glucopyranosiduronic acid,2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxo-2h-chromen-7-yl oxy tetrahydro-2h-pyran-2-carboxylic acid,2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxo-chromen-7-yl oxy-tetrahydropyran-2-carboxylic acid,2s,3s,4s,6s,5r-3,4,5-trihydroxy-6-4-methyl-2-oxochromen-7-yloxy-2h-3,4,5,6-tetrahydropyran-2-carboxylic acid,2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxochromen-7-yl oxy oxane-2-carboxylic acid
IUPAC Name (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
InChI Key ARQXEQLMMNGFDU-JHZZJYKESA-N
Molecular Formula C16H16O9
13

N-(-)-Acetylneuraminic acid, 97%, Thermo Scientific Chemicals

CAS: 131-48-6 Molecular Formula: C11H19NO9 Molecular Weight (g/mol): 309.271 MDL Number: MFCD00006620 InChI Key: SQVRNKJHWKZAKO-LFIUDZTESA-N Synonym: n-acetylneuramic acid,spectrum_000450,spectrum2_000559,spectrum4_000432,spectrum5_001326,spectrum2300147,2s,4s,5s,6s-5-acetamido-2,4-dihydroxy-6-2r-1,2,3-trihydroxypropyl oxane-2-carboxylic acid PubChem CID: 126963458 IUPAC Name: (4S,5S,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O

PubChem CID 126963458
CAS 131-48-6
Molecular Weight (g/mol) 309.271
MDL Number MFCD00006620
SMILES CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
Synonym n-acetylneuramic acid,spectrum_000450,spectrum2_000559,spectrum4_000432,spectrum5_001326,spectrum2300147,2s,4s,5s,6s-5-acetamido-2,4-dihydroxy-6-2r-1,2,3-trihydroxypropyl oxane-2-carboxylic acid
IUPAC Name (4S,5S,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
InChI Key SQVRNKJHWKZAKO-LFIUDZTESA-N
Molecular Formula C11H19NO9
14

6-Chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt, 98%, Thermo Scientific™

CAS: 138182-20-4 Molecular Formula: C14H13ClNO7 Molecular Weight (g/mol): 342.71 MDL Number: MFCD00153940 InChI Key: UFBPRKNLSYGHJJ-BYNIDDHOSA-M Synonym: cyclohexanaminium 2s,3s,4s,5r,6s-6-6-chloro-1h-indol-3-yl oxy-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylate,salmon-glca,cyclohexylammonium ion 2s,3s,4s,5r,6s-6-6-chloro-1h-indol-3-yl oxy-3,4,5-trihydroxyoxane-2-carboxylate,c14h14clno7.c6h13n,6-chloro-3-indolyl b-d-glucuronide cyclohexyl,6-chloro-3-indolyl beta-d-glucuronide cyclohexylammonium salt,6-chloro-3-indoxyl-beta-d-glucuronic acid, cyclohexylammonium salt PubChem CID: 16211694 IUPAC Name: (2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine SMILES: O[C@@H]1[C@@H](O)[C@H](OC2=CNC3=CC(Cl)=CC=C23)O[C@@H]([C@H]1O)C([O-])=O

PubChem CID 16211694
CAS 138182-20-4
Molecular Weight (g/mol) 342.71
MDL Number MFCD00153940
SMILES O[C@@H]1[C@@H](O)[C@H](OC2=CNC3=CC(Cl)=CC=C23)O[C@@H]([C@H]1O)C([O-])=O
Synonym cyclohexanaminium 2s,3s,4s,5r,6s-6-6-chloro-1h-indol-3-yl oxy-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylate,salmon-glca,cyclohexylammonium ion 2s,3s,4s,5r,6s-6-6-chloro-1h-indol-3-yl oxy-3,4,5-trihydroxyoxane-2-carboxylate,c14h14clno7.c6h13n,6-chloro-3-indolyl b-d-glucuronide cyclohexyl,6-chloro-3-indolyl beta-d-glucuronide cyclohexylammonium salt,6-chloro-3-indoxyl-beta-d-glucuronic acid, cyclohexylammonium salt
IUPAC Name (2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine
InChI Key UFBPRKNLSYGHJJ-BYNIDDHOSA-M
Molecular Formula C14H13ClNO7
15

5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt, 98%, Thermo Scientific Chemicals

CAS: 129541-41-9 Molecular Formula: C14H12BrClNNaO7 Molecular Weight (g/mol): 444.594 MDL Number: MFCD00135782 InChI Key: IBLSVGDGSKUDCT-ILIJQVQCSA-M Synonym: x-gluc sodium salt,x-glca sodium salt,5-bromo-4-chloro-3-indolyl beta-d-glucopyranosiduronic acid sodium salt PubChem CID: 53384407 IUPAC Name: sodium;(2R,3S,4S,5S,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate SMILES: C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)[O-])O)O)O)Cl)Br.[Na+]

PubChem CID 53384407
CAS 129541-41-9
Molecular Weight (g/mol) 444.594
MDL Number MFCD00135782
SMILES C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)[O-])O)O)O)Cl)Br.[Na+]
Synonym x-gluc sodium salt,x-glca sodium salt,5-bromo-4-chloro-3-indolyl beta-d-glucopyranosiduronic acid sodium salt
IUPAC Name sodium;(2R,3S,4S,5S,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
InChI Key IBLSVGDGSKUDCT-ILIJQVQCSA-M
Molecular Formula C14H12BrClNNaO7