(5Z)-7-{(1R,2R,3S,5S)-2-[(1E,3R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-3-Hydroxy-1-Propen-1-Yl]-3-Fluoro-5-Hydroxycyclopentyl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C24H31FO4
IUPAC Name (z)-7-[(1r,2r,3s,5s)-3-fluoro-5-hydroxy-2-[(e,3r)-3-hydroxy-3-indan-2-yl-prop-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular Mass 402.499 g·mol−1
Heat of Formation -940.5 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 504.25 Å 3
Surface Area 389.27 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (5z, 13e)-(9s,11s,15r)-9,15,dihydroxy-11-fluoro-15-(2-indanyl)-16,17,18,19,20,pentanor-5,13-prostadienoic acid
  • (z)-7-[(1r,2r,3s,5s)-2-[(e,3r)-3-(2,3-dihydro-1h-inden-2-yl)-3-hydroxy-prop-1-enyl]-3-fluoro-5-hydroxy-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3s,5s)-2-[(e,3r)-3-(2,3-dihydro-1h-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3s,5s)-3-fluoro-5-hydroxy-2-[(e,3r)-3-hydroxy-3-(2-indanyl)prop-1-enyl]cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3s,5s)-3-fluoro-5-hydroxy-2-[(e,3r)-3-hydroxy-3-indan-2-yl-prop-1-enyl]cyclopentyl]hept-5-enoic acid
  • [1r-[1alpha(z),2beta(1e,3s*),3beta,5alpha]]-7-[3-fluoro-5-hydroxy-2-[3-hydroxy-4-[2-(2,3-dihydro-1h-indenyl)]-1-butenyl]cyclolpentyl]-5-heptenoic acid
  • al-8810
  • al-881011
InChIKey WTYSXBKKVNOOIX-JTGCGUAKSA-N
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