Basic information
- Standard SMILES
O=C1O[C@H]2[C@H](OC(O)[C@@H]2O)[C@@H]1O- InChIKey
OGLCQHRZUSEXNB-VGASXLIASA-N- Molecular formula
- C6H8O6
- Average molar mass
- 176.12 g/mol
Names & identifiers
- Preferred name
- (3S,3AR,6R,6aR)-3,5,6-trihydroxytetrahydrofuro[3,2-b]furan-2(3H)-one
- IUPAC
- (3R,3aR,6S,6aR)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
Names & synonyms
(3S,3AR,6R,6aR)-3,5,6-trihydroxytetrahydrofuro[3,2-b]furan-2(3H)-oned-glucofuranurono-6,3-lactoneSCHEMBL1895636OGLCQHRZUSEXNB-VGASXLIASA-NAKOS032454277NCGC00164524-02G0055(3S,3aR,6R,6aR)-3,5,6-trihydroxytetrahydrofuro[3,2-b]furan-2(5H)-one
Database identifiers
- PubChem CID
- 11116575
- Nikkaji
- J776.587H
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 216
Related reactions
2 records
Compound notes
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