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
| 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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