D-Glucuronic acid, 3-(hydrogen sulfate)
Basic information
- CAS
110231-93-1- Standard SMILES
O=C[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H](O)C(=O)O- InChIKey
DLJXFFATZRGSBR-SKNVOMKLSA-N- Molecular formula
- C6H10O10S
- Average molar mass
- 274.2 g/mol
- Monoisotopic mass
- 273.99946769
Overview
D-glucuronic acid 3-sulfate is a monosaccharide sulfate that is D-glucuronic acid esterified at O-3 by sulfuric acid. It is functionally related to an aldehydo-D-glucuronic acid.
Names & identifiers
- Preferred name
- D-Glucuronic acid, 3-(hydrogen sulfate)
- IUPAC
- (2S,3R,4S,5R)-2,3,5-trihydroxy-6-oxo-4-sulfooxyhexanoic acid
- English name
- glucuronic acid 3-sulfate
- Molecular formula
- C6H10O10S
- Molecular weight
- 274.2
Names & synonyms
Glucuronic acid 3-sulfateGlucuronate 3-sulfate110231-93-1D-Glucuronic acid, 3-(hydrogen sulfate)RefChem:919559GlyTouCan:G95754KFG95754KF3-Sulfoglucuronic acidD-glucuronic acid 3-sulfate3-O-sulfo-D-glucuronic acidCHEBI:60288D-glucuronic acid 3-(hydrogen sulfate)
Show more names
3-O-Sulfohexuronic acid(2S,3R,4S,5R)-2,3,5-trihydroxy-6-oxo-4-sulfooxyhexanoic acidEpitope ID:141110Glucuronic acid 3-O-sulfateSCHEMBL1360798DTXSID80911549DLJXFFATZRGSBR-SKNVOMKLSA-N(2S,3R,4S,5R)-2,3,5-trihydroxy-6-oxo-4-(sulfooxy)hexanoic acid
Database identifiers
- CAS
110231-93-1- PubChem CID
- 130628
- DTXSID
DTXSID80911549- ChEBI
CHEBI:60288- Nikkaji
- J2.550.820C
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Density
- 1.98 · 1.980±0.06 g/cm3(Predicted)
- pka
- -4.03 · -4.03±0.18(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: D-glucuronic acid esterified at O-3 by sulfuric acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…