3,4,5,6,7-Pentahydroxyoxocan-2-one
Basic information
- CAS
34839-78-6- Standard SMILES
O=C1OCC(O)C(O)C(O)C(O)C1O- InChIKey
MIENLRXEHUAIDH-UHFFFAOYSA-N- Molecular formula
- C7H12O7
- Average molar mass
- 208.17 g/mol
- Monoisotopic mass
- 208.05830272
Names & identifiers
- Preferred name
- 3,4,5,6,7-Pentahydroxyoxocan-2-one
- IUPAC
- 3,4,5,6,7-pentahydroxyoxocan-2-one
Names & synonyms
NSC1662953,4,5,6,7-pentahydroxyoxocan-2-one34839-78-6DTXSID90304564NSC-1662953,4,5,6,7-Pentahydroxy-oxocan-2-one
Database identifiers
- CAS
34839-78-6- PubChem CID
- 296287
- DTXSID
DTXSID90304564
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
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Compound notes
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