(4E)-7-[(1R,2R,3S,5S)-5-(4-Biphenylylmethoxy)-3-Hydroxy-2-(1-Piperidinyl)Cyclopentyl]-4-Heptenoic Acid

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Properties Simple | Detailed

Formula C28H41NO4
IUPAC Name (e)-7-[(1r,2r,3s,5s)-3-hydroxy-5-[[4-[(e)-1-methylprop-1-enyl]phenyl]methoxy]-2-(1-piperidyl)cyclopentyl]hept-4-enoate
Molecular Mass 455.629 g·mol−1
Heat of Formation -652.7 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 617.18 Å 3
Surface Area 478.79 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-7-[(1r,2r,3s,5s)-3-hydroxy-5-(4-phenylbenzyl)oxy-2-piperidino-cyclopentyl]hept-4-enoic acid
  • (e)-7-[(1r,2r,3s,5s)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-(1-piperidyl)cyclopentyl]hept-4-enoic acid
  • (e)-7-[(1r,2r,3s,5s)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-yl-cyclopentyl]hept-4-enoic acid
  • (e)-7-[(1r,2r,3s,5s)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid
  • 4-heptenoic acid, 7-(5-((1,1'-biphenyl)-4-ylmethoxy)-3-hydroxy-2-(1-piperidinyl)cyclopentyl)-, (1r-(1alpha(z),2beta,3beta,5alpha))-
  • gr 32191
  • pdsp2_000517
  • vapiprost
  • vapiprostum [latin]
CAS Number(s)
  • 85505-64-2
InChIKey GQGRDYWMOPRROR-ZIFKCHSBSA-N
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