Basic information
- Standard SMILES
O=C([O-])[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
AEMOLEFTQBMNLQ-DTEWXJGMSA-M- Molecular formula
- C6H9O7-
- Average molar mass
- 193.13 g/mol
- Monoisotopic mass
- 193.03482762
Overview
Beta-D-galacturonate is a D-galactopyranuronate that has beta configuration at the anomeric centre. It is a conjugate base of a beta-D-galacturonic acid.
Names & identifiers
- Preferred name
- beta-D-galacturonate
- IUPAC
- (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
Names & synonyms
beta-D-galacturonatebeta-d-galactopyranuronateCHEBI:85312RefChem:119284a-D-Galacturonic acid hydrateDTXSID201382859Q27158474
Database identifiers
- PubChem CID
- 6992022
- DTXSID
DTXSID201382859- ChEBI
CHEBI:85312
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- -1
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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