Methyl (4E,11α,13E,16S)-4-Fluoro-11,16-Dihydroxy-16-Methyl-9-Oxoprosta-4,13-Dien-1-Oate

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Properties Simple | Detailed

Formula C22H35FO5
IUPAC Name methyl (e)-4-fluoro-7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-4-enoate
Molecular Mass 398.509 g·mol−1
Heat of Formation -1279.3 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 528.39 Å 3
Surface Area 421.32 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-fluoro-7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyl-oct-1-enyl]-5-keto-cyclopentyl]hept-4-enoic acid methyl ester
  • (e)-4-fluoro-7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-4-enoic acid methyl ester
  • 4-fluoroenisoprost
  • methyl (e)-4-fluoro-7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-4-enoate
  • methyl (e)-4-fluoro-7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-4-enoate
  • prosta-4,13-dien-1-oic acid, 4-fluoro-11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (4e,11alpha,13e,16s)-(+-)-
CAS Number(s)
  • 109976-45-6
InChIKey JSPJXWJMYDOTQN-QUZLMLTJSA-N
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