(5Z)-7-[(1S,2S,3S,5R)-3,5-Dihydroxy-2-{(1E,3S)-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-[(1s,2s,3s,5r)-3,5-dihydroxy-2-[(e,3s)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular Mass 458.468 g·mol−1
Heat of Formation -1728.0 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 538.92 Å 3
Surface Area 396.86 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • ici 81,008
InChIKey WWSWYXNVCBLWNZ-CHPNCWRZSA-N
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Elements H C O F