Basic information
- Standard SMILES
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC- InChIKey
QLPYHQHJKMTHED-KHBONWNZSA-N- Molecular formula
- C21H36O5
- Average molar mass
- 368.5 g/mol
Names & identifiers
- Preferred name
- Methyl 7-[5-((1E)(3S)-3-hydroxyoct-1-enyl)(1R,4R,5R)-4-hydroxy-2-oxocyclopentyl]heptanoate
- IUPAC
- methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoate
Names & synonyms
SCHEMBL2954686CHEMBL3249733QLPYHQHJKMTHED-KHBONWNZSA-N(-)-methyl(11r, 15s, 13e)-11, 15-dihydroxy-9-oxoprost-13-en1-oateMethyl 7-[5-((1E)(3S)-3-hydroxyoct-1-enyl)(1R,4R,5R)-4-hydroxy-2-oxocyclopentyl]heptanoate
Database identifiers
- PubChem CID
- 9864090
- ChEMBL
CHEMBL3249733- Nikkaji
- J146.696H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 446
Related reactions
4 records
Compound notes
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