(7Z)-9-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-5-Oxocyclopentyl}-7-Nonenoic Acid

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Properties Simple | Detailed

Formula C22H36O5
IUPAC Name (z)-9-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]non-7-enoic acid
Molecular Mass 380.518 g·mol−1
Heat of Formation -1123.5 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 505.84 Å 3
Surface Area 406.29 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-9-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]non-7-enoic acid
  • (z)-9-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]non-7-enoic acid
  • (z)-9-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]non-7-enoic acid
  • 1a,1b-dihomo-9-oxo-11r,15s-dihydroxy-5z,13e-prostadienoic acid
  • lmfa03010155
InChIKey PNKJEXAWAIJTRO-QKIVIXBWSA-N
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