Methyl 7-[5-((1E)(3S)-3-hydroxyoct-1-enyl)(1R,4R,5R)-4-hydroxy-2-oxocyclopentyl]heptanoate

HCID 9864090

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

Related reactions

4 records

Compound notes

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