(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{(1E,3R)-3-Hydroxy-4-[3-(Trifluoromethyl)Phenoxy]-1-Buten-1-Yl}Cyclopentyl]-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C23H29F3O6
IUPAC Name (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3r)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular Mass 458.468 g·mol−1
Heat of Formation -1739.7 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 543.96 Å 3
Surface Area 400.43 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3r)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
  • fluprostenol
InChIKey WWSWYXNVCBLWNZ-QIZQQNKQSA-N
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