(5Z,11α,13E,15S)-11,15-Dihydroxy-17,17-Dimethyl-9-Oxoprosta-5,13-Dien-1-Oic Acid

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Properties Simple | Detailed

Formula C22H36O5
IUPAC Name (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-5,5-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
Molecular Mass 380.518 g·mol−1
Heat of Formation -1102.5 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 516.82 Å 3
Surface Area 389.33 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-5,5-dimethyl-oct-1-enyl]-5-keto-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-5,5-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-5,5-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
  • 17,17-dimethyl-pge2
  • 17,17-dimethylprostaglandin e2
  • prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-17,17-dimethyl-9-oxo-, (5z,11alpha,13e,15s)-
CAS Number(s)
  • 80003-50-5
InChIKey JQICXPHYGHAQCO-SWKZIXBFSA-N
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