(5Z)-7-{(1S,3R,4R,5S)-7,7-Difluoro-3-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-2,6-Dioxabicyclo[3.1.1]Hept-4-Yl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C20H30F2O5
IUPAC Name (z)-7-[(1s,2r,3r,5s)-7,7-difluoro-3-[(e,3s)-3-hydroxyoct-1-enyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
Molecular Mass 388.446 g·mol−1
Heat of Formation -1321.7 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 477.21 Å 3
Surface Area 363.45 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1s,2r,3r,5s)-6,6-difluoro-3-[(e,3s)-3-hydroxyoct-1-enyl]-4,7-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
  • 10,10-difluoro-txa2
  • 10,10-difluorothromboxane a2
CAS Number(s)
  • 121573-36-2
InChIKey GJCWJHMKKPOZIY-ZRUQSMBYSA-N
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