(5Z)-7-{(1R,2R,3R,5S)-2-[(1E)-3,3-Difluoro-4-Phenoxy-1-Buten-1-Yl]-3,5-Dihydroxycyclopentyl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C22H28F2O5
IUPAC Name (z)-7-[(1r,2r,3r,5s)-2-[(e)-3,3-difluoro-4-phenoxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
Molecular Mass 410.452 g·mol−1
Heat of Formation -1307.8 ± 16.7 kJ·mol−1
Dipole Moment 0.62 ± 1.08 D
Volume 496.74 Å 3
Surface Area 385.52 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r,5s)-2-[(e)-3,3-difluoro-4-(phenoxy)but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r,5s)-2-[(e)-3,3-difluoro-4-(phenoxy)but-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
  • afp-172
InChIKey KIQXRQVVYTYYAZ-VKVYFNERSA-N
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