(5Z,9α,11α,13E,15S)-7,7-Difluoro-11,15-Dihydroxy-6,9-Epoxyprosta-5,13-Dien-1-Oic Acid

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Formula C20H30F2O5
IUPAC Name (5z)-5-[(3ar,4r,5r,6as)-3,3-difluoro-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-4,5,6,6a-tetrahydro-3ah-cyclopenta[b]furan-2-ylidene]pentanoic acid
Molecular Mass 388.446 g·mol−1
Heat of Formation -1485.4 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 476.86 Å 3
Surface Area 377.78 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-5-[(3ar,4r,5r,6as)-3,3-difluoro-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]furan-2-ylidene]pentanoic acid
  • (5z)-5-[(3ar,4r,5r,6as)-3,3-difluoro-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]furan-2-ylidene]valeric acid
  • afp-07
InChIKey ILUYAOVLMOPQAI-BFOOZVJSSA-N
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