(11α,13E,15S)-11,15-Dihydroxy-15-Methyl-9-Oxoprost-13-En-1-Oic Acid

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Properties Simple | Detailed

Formula C21H36O5
IUPAC Name 7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-3-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
Molecular Mass 368.508 g·mol−1
Heat of Formation -1186.9 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 501.96 Å 3
Surface Area 445.77 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 15-methyl-15s-pge1
  • 7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-3-methyl-oct-1-enyl]-5-keto-cyclopentyl]enanthic acid
  • 7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-3-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
  • 7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
  • 9-oxo-11r,15s-dihydroxy-15-methyl-13e-prostaenoic acid
  • lmfa03010056
InChIKey OMNFCPCBKCERJP-XBZFKEOQSA-N
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