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Chemical structure of 5-trans Prostaglandin D2

GC41422

5-trans Prostaglandin D2

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

The trans isomer of prostaglandin D2 (PGD2) occurs as an impurity between 2-5% in most commercial preparations of the bulk drug product

ChemicalCAS2202725-84-4MW352.5FormulaC20H32O5
CAS number
2202725-84-4
Molecular weight
352.5
Formula
C20H32O5
Solubility
DMF： 100 mg/ml,DMSO： 50 mg/ml,Ethanol： 75 mg/ml,PBS (pH 7·2)： 5 mg/ml
InChIKey
BHMBVRSPMRCCGG-IAVHXZOJSA-N
Catalogue number
GC41422
Brand
GLPBIO
Computed properties PubChem CID 6519333 · XLogP 2.6 · TPSA 94.8 Ų · H-bond donors 3
XLogP
2.6
TPSA
94.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
25

SMILES CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C/CCCC(=O)O)O

Computed descriptors from PubChem (CID 6519333), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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