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Chemical structure of 9-deoxy-9-methylene Prostaglandin E2

GC40338

9-deoxy-9-methylene Prostaglandin E2

Also known as (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-methylidenecyclopentyl]hept-5-enoic acid

9-deoxy-9-methylene Prostaglandin E2 (9-deoxy-9-methylene PGE2) is a stable, isosteric analog of PGE2

ChemicalCAS61263-32-9MW350.5FormulaC21H34O4
CAS number
61263-32-9
Molecular weight
350.5
Formula
C21H34O4
Solubility
DMF： >100 mg/ml (from PGE2),DMSO： >100 mg/ml (from PGE2),Ethanol： >100 mg/ml (from PGE2),PBS pH 7·2： >5 mg/ml (from PGE2)
InChIKey
VKEJXDXJUFQESA-DLMPNJEASA-N
Catalogue number
GC40338
Brand
GLPBIO
Computed properties PubChem CID 5283059 · XLogP 3.5 · TPSA 77.8 Ų · H-bond donors 3
XLogP
3.5
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
25

SMILES CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=C)[C@@H]1C/C=C\CCCC(=O)O)O)O

Computed descriptors from PubChem (CID 5283059), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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