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Chemical structure of 5-trans U-46619

GC17719

5-trans U-46619

Also known as (E)-7-[(5S,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid

Prostaglandin E synthase inhibitor

ChemicalCAS330796-58-2MW350.5FormulaC21H34O4
CAS number
330796-58-2
Molecular weight
350.5
Formula
C21H34O4
Solubility
≤100mg/ml in ethanol;100mg/ml in DMSO;100mg/ml in dimethyl formamide;2mg/ml in PBS(pH7·2)
InChIKey
LQANGKSBLPMBTJ-YTQMDITASA-N
Catalogue number
GC17719
Brand
GLPBIO
Computed properties PubChem CID 44266707 · XLogP 3.9 · TPSA 66.8 Ų · H-bond donors 2
XLogP
3.9
TPSA
66.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
25

SMILES CCCCC[C@@H](/C=C/[C@@H]1[C@H](C2CC1OC2)C/C=C/CCCC(=O)O)O

Computed descriptors from PubChem (CID 44266707), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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