AC1O5S4D structure

AC1O5S4D

(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propanoyl]amino]cyclopentyl]hept-5-enoic acid

Also Known As: 7-(N-(2S-Hydroxy-2-(3-trifluoromethylphenyloxy)ethylcarbonyl)-2-amino-3,5-dihydroxycyclopentyl)-5-heptenoic acid|5-Heptenoic acid, 7-(3,5-dihydroxy-2-((2-hydroxy-1-oxo-3-(3-(trifluoromethyl)phenoxy)propyl)amino)cyclopentyl)-, (1R-(1alpha(Z),2beta(S*),3alpha,5alpha))-|(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propanoyl]amino]cyclopentyl]hept-5-enoic acid

CAS: 64768-63-4
Molecular Formula C22H28F3NO7
Molecular Weight 475.1818 g/mol
LogP 1.8728
Topological Polar Surface Area 136.32 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
Rotatable Bonds 11
Exact Mass 475.1818
Monoisotopic Mass 475.1818
Heavy Atoms 33
Complexity 830.45264

Chemical Identifiers

CAS Number 64768-63-4
SMILES C1[C@@H]([C@@H]([C@H]([C@@H]1O)NC(=O)[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)C/C=C\CCCC(=O)O)O

Product Overview

AC1O5S4D (CAS 64768-63-4), with molecular formula C22H28F3NO7 and molecular weight 475.1818 g/mol. IUPAC: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propanoyl]amino]cyclopentyl]hept-5-enoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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