Inositol, 6-chloro-6-deoxy-, epi-
Basic information
- CAS
887264-56-4- Standard SMILES
OC1[C@@H](O)[C@@H](O)C(Cl)[C@@H](O)[C@H]1O- InChIKey
BSMLUJHFZGTHOG-GQXJQEMDSA-N- Molecular formula
- C6H11ClO5
- Average molar mass
- 198.6 g/mol
- Monoisotopic mass
- 198.0295011
Names & identifiers
- Preferred name
- Inositol, 6-chloro-6-deoxy-, epi-
- IUPAC
- (1S,2S,4R,5R)-6-chlorocyclohexane-1,2,3,4,5-pentol
Names & synonyms
Inositol, 6-chloro-6-deoxy-, epi-DTXSID101299611887264-56-4(1R,2R,3r,4S,5S,6r)-6-Chlorocyclohexane-1,2,3,4,5-pentol
Database identifiers
- CAS
887264-56-4- PubChem CID
- 13844404
- DTXSID
DTXSID101299611
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
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Compound notes
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