2,5-Anhydro-3,4-dideoxyhexaric acid
Basic information
- CAS
2044-00-0- Standard SMILES
O=C(O)C1CC[C@@H](C(=O)O)O1- InChIKey
CWZQRDJXBMLSTF-WUCPZUCCSA-N- Molecular formula
- C6H8O5
- Average molar mass
- 160.12 g/mol
- Monoisotopic mass
- 160.03717335
Names & identifiers
- Preferred name
- 2,5-Anhydro-3,4-dideoxyhexaric acid
- IUPAC
- (2S)-oxolane-2,5-dicarboxylic acid
Names & synonyms
DTXSID609426142044-00-02,5-anhydro-3,4-dideoxyhexaric acidRefChem:1060030DTXCID101371007TETRAHYDRO-2,5-FURANDICARBOXYLIC ACID (TRANS)(2xi)-2,5-anhydro-3,4-dideoxy-D-glycero-hexaric acid
Database identifiers
- CAS
2044-00-0- PubChem CID
- 16276
- DTXSID
DTXSID60942614
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
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Compound notes
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