Basic information
- Standard SMILES
O=C1C[C@@H]2[C@H](CO)[C@H](OC(=O)c3ccccc3)C[C@@H]2O1- InChIKey
OBRRYUZUDKVCOO-MROQNXINSA-N- Molecular formula
- C15H16O5
- Average molar mass
- 276.28 g/mol
Names & identifiers
- Preferred name
- (3aR,4R,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate
- IUPAC
- [(3aR,4R,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
Names & synonyms
2218532-66-0(3aR,4R,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoateTravoprost Impurity 10SCHEMBL7160184OBRRYUZUDKVCOO-MROQNXINSA-N(3aR,4R,5R,6aS)-5-Benzoyloxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one
Database identifiers
- PubChem CID
- 7156973
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 388
Related reactions
4 records
Compound notes
Loading…