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Chemical structure of 16,16-dimethyl Prostaglandin D2

GC41159

16,16-dimethyl Prostaglandin D2

Also known as 7-[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxy-4,4-dimethyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid

16,16-dimethyl PGD2 is a metabolically stable synthetic analog of PGD2

ChemicalCAS64072-59-9MW380.5FormulaC22H36O5
CAS number
64072-59-9
Molecular weight
380.5
Formula
C22H36O5
Solubility
DMF： >100 mg/ml (from PGD2),DMSO： >50 mg/ml (from PGD2),Ethanol： >75 mg/ml (from PGD2),PBS pH 7·2： >5 mg/ml (from PGD2)
InChIKey
ZEMOZGYCFBTCMC-XSYGEPLQSA-N
Catalogue number
GC41159
Brand
GLPBIO
Computed properties PubChem CID 71401207 · XLogP 3.4 · TPSA 94.8 Ų · H-bond donors 3
XLogP
3.4
TPSA
94.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
27

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

Computed descriptors from PubChem (CID 71401207), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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