(5Z)-7-{(1R,2S,3S,4R)-3-[(1E)-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-[(1r,2s,3s,4s)-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 -969.5 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 515.76 Å 3
Surface Area 375.08 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
InChIKey JEUSDRLWFSRHSX-KQHZALOZSA-N
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