Basic information
- CAS
52993-96-1- Standard SMILES
O=C(O)C1OC(CO)C(O)C1O- InChIKey
UDQPBAKZZSWNSE-UHFFFAOYSA-N- Molecular formula
- C6H10O6
- Average molar mass
- 178.14 g/mol
- Monoisotopic mass
- 178.04773803
Names & identifiers
- Preferred name
- 2,5-Anhydrogluconic acid
- IUPAC
- 3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
- English name
- Tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)-2-furancarboxylic acid
- Molecular formula
- C6H10O6
- Molecular weight
- 178.14
Names & synonyms
52993-96-13,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carboxylic acid2,5-Anhydrogluconic acid2,5-Anhydrohexonic acid2,5-Anhydrohexonic acid #SCHEMBL27758954DTXSID50339993UDQPBAKZZSWNSE-UHFFFAOYSA-NTetrahydro-3,4-dihydroxy-5-(hydroxymethyl)-2-furancarboxylic acidDB-299277Chitaric acidHexonic acid, 2,5-anhydro-
Database identifiers
- CAS
52993-96-1- PubChem CID
- 560653
- DTXSID
DTXSID50339993- Nikkaji
- J10.183D
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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