Basic information
- CAS
23018-83-9- Standard SMILES
O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
AEMOLEFTQBMNLQ-QIUUJYRFSA-N- Molecular formula
- C6H10O7
- Average molar mass
- 194.14 g/mol
- Monoisotopic mass
- 194.04265266
Overview
Beta-D-glucuronic acid is a D-glucopyranuronic acid in which the anomeric centre has beta-configuration. It has a role as a metabolite. It is a conjugate acid of a beta-D-glucuronate.
Names & identifiers
- Preferred name
- beta-D-glucopyranuronic acid
- IUPAC
- (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
- English name
- (1S,2S)-Bupropion N-1'-Deoxy-β-D-glucuronic Acid
- Molecular formula
- C6H10O7
- Molecular weight
- 194.14
Names & synonyms
beta-D-Glucuronic acidbeta-D-Glucopyranuronic acidGlcAbetaGlcAbCHEBI:28860RefChem:6905(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid;beta-D-glucopyranuronic acid(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((2-hydroxyphenyl)carbonyloxy)oxane-2-carboxylic acid23018-83-9(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acidbeta-D-Glucouronic acidbeta-Glucouronic acid
Show more names
?-D-Glucopyranuronic acidZAMYOYADDOZKJE-VARYDCTDSA-N(1S,2S)-Bupropion N-1'-Deoxy-β-D-glucuronic Acid
(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acidbeta-D-Glucopyranosyluronic acidMFCD0007777800A9JB14O6Glucuronic acid, beta-DUNII-00A9JB14O6Glucopyranuronic acid, beta-D-beta-D-GlcpA
Database identifiers
- CAS
23018-83-9
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 234 · 234-236 °C
- Boiling point
- 495.2 · 495.2±45.0 °C(Predicted)
- Density
- 1.987 · 1.987±0.06 g/cm3(Predicted)
- pka
- 2.87 · 2.87±0.70(Predicted)
- FDA UNII
- 0 A9JB14O6 · 00A9JB14O6
Chemistry & industry
Suppliers8 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
台州川旭医药科技有限公司[email protected] · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: Beta-D-glucuronic acid is a D-glucopyranuronic acid in which the anomeric centre has beta-configuration. It has a role as a metabolite. It is a conjugate acid of a beta-D-glucuronate.
Related reactions
1 records
Compound notes
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