7-(N-(2S-Hydroxy-2-(3-trifluoromethylphenyloxy)ethylcarbonyl)-2-amino-3,5-dihydroxycyclopentyl)-5-heptenoic acid
Basic information
- CAS
64768-63-4- Standard SMILES
O=C(O)CCC/C=C\C[C@@H]1[C@@H](NC(=O)[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O- InChIKey
WRIONUABRNQEIH-BOGMFSRXSA-N- Molecular formula
- C22H28F3NO7
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 475.18178672
Names & identifiers
- Preferred name
- 7-(N-(2S-Hydroxy-2-(3-trifluoromethylphenyloxy)ethylcarbonyl)-2-amino-3,5-dihydroxycyclopentyl)-5-heptenoic acid
- 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
Names & synonyms
64768-63-47-(N-(2S-Hydroxy-2-(3-trifluoromethylphenyloxy)ethylcarbonyl)-2-amino-3,5-dihydroxycyclopentyl)-5-heptenoic acid5-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))-
Database identifiers
- CAS
64768-63-4- PubChem CID
- 6439652
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 673
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Compound notes
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