Basic information
- CAS
52882-07-2- Standard SMILES
OC1[C@@H](O)[C@@H](O)C2(CO2)[C@@H](O)[C@@H]1O- InChIKey
AWCFPDQAULWFNH-CEDNOLFGSA-N- Molecular formula
- C7H12O6
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.0633881
Names & identifiers
- Preferred name
- (4S,5R,7R,8R)-2-oxaspiro[2.5]octane-4,5,6,7,8-pentol
- IUPAC
- (4R,5R,7R,8S)-1-oxaspiro[2.5]octane-4,5,6,7,8-pentol
Names & synonyms
52882-07-2NSC 564072,21-Anhydro-2-C-(hydroxymethyl)-epi-inositolNSC56407(4S,5R,7R,8R)-2-oxaspiro[2.5]octane-4,5,6,7,8-pentol
Database identifiers
- CAS
52882-07-2- PubChem CID
- 474445
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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