Basic information
- Standard SMILES
CC(O)CCC/C=C/C1CC(O)CC1C(O)/C=C/C(=O)O- InChIKey
JFMRAARESGPLQF-GFGVWQOPSA-N- Molecular formula
- C16H26O5
- Average molar mass
- 298.37 g/mol
- Monoisotopic mass
- 298.17802393
Overview
(2E)-4-hydroxy-4-{4-hydroxy-2-[(1E)-6-hydroxy-1-hepten-1-yl]cyclopentyl}-2-butenoic acid is a hydroxy fatty acid.
Names & identifiers
- Preferred name
- (2E)-4-Hydroxy-4-{4-hydroxy-2-[(1E)-6-hydroxy-1-hepten-1-yl]cyclopentyl}-2-butenoic acid
- IUPAC
- (E)-4-hydroxy-4-[4-hydroxy-2-[(E)-6-hydroxyhept-1-enyl]cyclopentyl]but-2-enoic acid
Names & synonyms
(2E)-4-Hydroxy-4-{4-hydroxy-2-[(1E)-6-hydroxy-1-hepten-1-yl]cyclopentyl}-2-butenoic acidCompound NP-003951orb3172524CHEBI:167812DTXSID101349260AKOS040739845NS00097070T130785(E)-4-hydroxy-4-[4-hydroxy-2-[(E)-6-hydroxyhept-1-enyl]cyclopentyl]but-2-enoic acid
Database identifiers
- PubChem CID
- 51136282
- DTXSID
DTXSID101349260- ChEBI
CHEBI:167812
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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