7-{(1R,2R)-2-[(1E,3R)-3-Hydroxy-4-Phenoxy-1-Buten-1-Yl]-5-Oxocyclopentyl}Heptanoic Acid

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Properties Simple | Detailed

Formula C22H30O5
IUPAC Name 7-[(1r,2r)-2-[(e,3r)-3-hydroxy-4-phenoxy-but-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
Molecular Mass 374.471 g·mol−1
Heat of Formation -930.9 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 486.32 Å 3
Surface Area 397.4 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 11-deoxy-16-phenoxy-17,18,19,20-tetranor-pge1
  • 11-deoxy-16-phenoxy-17,18,19,20-tetranorprostaglandin e1
  • 7-[(1r,2r)-2-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-keto-cyclopentyl]enanthic acid
  • 7-[(1r,2r)-2-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
  • 7-[(1r,2r)-2-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxocyclopentyl]heptanoic acid
  • cyclopentaneheptanoic acid, 2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxo-, (1r-(1alpha,2beta(1e,3r*)))-
  • dpt-prostaglandin e1
  • m&b 28,767
  • m&b-28767
  • m&b28767
  • mb 28767
  • mb-28767
  • pdsp2_001534
CAS Number(s)
  • 80558-61-8
InChIKey NZGFSDWJUZOAAX-KAVAACISSA-N
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