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Chemical structure of ACS 67

GC10623

ACS 67

Also known as [4-(5-sulfanylidenedithiol-3-yl)phenyl] (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate

analog of latanoprost (free acid),prostaglandin (PG) analog

ChemicalCAS1088434-86-9MW598.8FormulaC32H38O5S3
CAS number
1088434-86-9
Molecular weight
598.8
Formula
C32H38O5S3
Solubility
≤2mg/ml in ethanol;20mg/ml in DMSO;30mg/ml in dimethyl formamide
InChIKey
JEEWZRQQYWVJCX-WEWVERJPSA-N
Catalogue number
GC10623
Brand
GLPBIO
Computed properties PubChem CID 44204917 · XLogP 5.9 · TPSA 170 Ų · H-bond donors 3
XLogP
5.9
TPSA
170 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
15
Heavy atoms
40

SMILES C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CCCC(=O)OC2=CC=C(C=C2)C3=CC(=S)SS3)CC[C@H](CCC4=CC=CC=C4)O)O

Computed descriptors from PubChem (CID 44204917), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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