Methyl (5Z,9α,11α,13E,15R,16E)-16-(Fluoromethylene)-9,11,15-Trihydroxyprosta-5,13-Dien-1-Oate

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Properties Simple | Detailed

Formula C22H35FO5
IUPAC Name methyl (z)-7-[(1r,2r,3r,5s)-2-[(e,3r,4e)-4-(fluoromethylene)-3-hydroxy-oct-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoate
Molecular Mass 398.509 g·mol−1
Heat of Formation -1225.0 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 509.86 Å 3
Surface Area 379.78 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r,5s)-2-[(1e,3r,4e)-4-butyl-5-fluoro-3-hydroxy-penta-1,4-dienyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid methyl ester
  • (z)-7-[(1r,2r,3r,5s)-2-[(e,3r,4e)-4-(fluoromethylene)-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid methyl ester
  • 16-fluoromethylenepgf2alpha
  • 16-fluoromethyleneprostaglandin f2alpha
  • methyl (z)-7-[(1r,2r,3r,5s)-2-[(e,3r,4e)-4-(fluoromethylene)-3-hydroxy-oct-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoate
  • methyl (z)-7-[(1r,2r,3r,5s)-2-[(e,3r,4e)-4-(fluoromethylidene)-3-hydroxy-oct-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoate
  • methyl (z)-7-[(1r,2r,3r,5s)-2-[(e,3r,4e)-4-(fluoromethylidene)-3-hydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
  • prosta-5,13-dien-1-oic acid, 16-(fluoromethylene)-9,11,15-trihydroxy-, methyl ester, (5z,9alpha,11alpha,13e,15r,16e)-
CAS Number(s)
  • 73885-87-7
InChIKey PIVQWPYRAZTEGX-QFMSOQAKSA-N
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