2-dehydro-3-deoxy-D-glucaric acid
Basic information
- Standard SMILES
O=C(O)C(=O)C[C@H](O)[C@H](O)C(=O)O- InChIKey
QUURPCHWPQNNGL-OKKQSCSOSA-N- Molecular formula
- C6H8O7
- Average molar mass
- 192.12 g/mol
- Monoisotopic mass
- 192.02700259
Overview
2-dehydro-3-deoxy-D-glucaric acid is a glucaric acid derivative. It is functionally related to a D-glucaric acid. It is a conjugate acid of a 2-dehydro-3-deoxy-D-glucarate(2-).
Names & identifiers
- Preferred name
- 2-dehydro-3-deoxy-D-glucaric acid
- IUPAC
- (2S,3S)-2,3-dihydroxy-5-oxohexanedioic acid
Names & synonyms
2-dehydro-3-deoxy-D-glucaric acid2-Dehydro-3-deoxy-D-glucarate(2S,3S)-2,3-dihydroxy-5-oxohexanedioic acid3-deoxy-D-erythro-hex-2-ulosaric acidSCHEMBL15895244CHEBI:17305DTXSID901344276C03921Q27102311
Database identifiers
- PubChem CID
- 440165
- DTXSID
DTXSID901344276- ChEBI
CHEBI:17305- Nikkaji
- J790.293J
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
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Related reactions
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Compound notes
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