(5Z)-7-{(1S,2R,3R,4R)-3-[(1E,3S)-4-(4-Fluorophenoxy)-3-Hydroxy-1-Buten-1-Yl]-7-Oxabicyclo[2.2.1]Hept-2-Yl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C23H29FO5
IUPAC Name (z)-7-[(1s,2r,3r,4r)-3-[(e,3s)-4-(4-fluorophenoxy)-3-hydroxy-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Molecular Mass 404.472 g·mol−1
Heat of Formation -987.7 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 493.27 Å 3
Surface Area 363.7 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1s,4r,5r,6r)-5-[(e,3s)-4-(4-fluorophenoxy)-3-hydroxy-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
  • (z)-7-[(1s,4r,5r,6r)-5-[(e,3s)-4-(4-fluorophenoxy)-3-hydroxybut-1-enyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
  • ep171
CAS Number(s)
  • 93-31-2
InChIKey JEUSDRLWFSRHSX-XUEDOEMRSA-N
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