3-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-5-Oxocyclopentyl}Propanoic Acid

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Properties Simple | Detailed

Formula C16H26O5
IUPAC Name 3-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]propanoic acid
Molecular Mass 298.375 g·mol−1
Heat of Formation -1070.6 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 388.52 Å 3
Surface Area 322.18 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy 0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]propionic acid
  • 3-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]propanoic acid
  • 3-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]propanoic acid
  • cyclopentanepropanoic acid, 3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-, (1r-(1alpha,2beta(1e,3s*),3alpha))-
  • tetranor-pge1
  • tetranorprostaglandin e1
CAS Number(s)
  • 23923-84-4
InChIKey FPTFFTMXBKQFKC-JZKKULJYSA-N
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