alpha-D-Glucuronic acid
Basic information
- CAS
70021-34-0- Standard SMILES
O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
AEMOLEFTQBMNLQ-WAXACMCWSA-N- Molecular formula
- C6H10O7
- Average molar mass
- 194.14 g/mol
- Monoisotopic mass
- 194.04265265
Overview
Alpha-D-glucuronic acid is a D-glucopyranuronic acid in which the anomeric centre has alpha-configuration. It is a conjugate acid of an alpha-D-glucuronate.
Names & identifiers
- Preferred name
- alpha-D-Glucuronic acid
- IUPAC
- (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
- English name
- α-D-Glucopyranuronic acid
- Molecular formula
- C6H10O7
- Molecular weight
- 194.14
Names & synonyms
70021-34-0alpha-D-glucopyranuronic acidalpha-D-glucuronic acid(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acidM7Y086VB5Galpha-D-Glucopyranosyluronic acidCHEBI:42717DTXSID201036416RefChem:915506GlyTouCan:G06745QYDTXCID601520607G06745QY
Show more names
α-D-Glucopyranuronic acidα-D-pyranglucosealdehydeacidD-Glucuronic acid-70021-34-0
a-d-glucopyranuronic acidMFCD32670673GlucosiduronateGlucuronic acid, alpha-D-|A-D-glucopyranuronic acidUNII-M7Y086VB5GGlcAalphaGlcAa
Database identifiers
- CAS
70021-34-0- PubChem CID
- 444791
- DTXSID
DTXSID201036416- ChEBI
CHEBI:42717- UNII
- M7Y086VB5G
- Nikkaji
- J822.123E
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
LogP
-2.57
-2.57
Solubility485 mg/mL
Melting Point143 - 144 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 163 · 163-164 °C(Solv: ethanol (64-17-5); benzene (71-43-2))
- 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
- 7 Y086VB5G · M7Y086VB5G
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysGlycogen synthetase deficiency
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Alpha-D-glucuronic acid is a D-glucopyranuronic acid in which the anomeric centre has alpha-configuration. It is a conjugate acid of an alpha-D-glucuronate.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…