(5Z,9α,11α,13E,15R)-9,11,15-Trihydroxy-16,16-Dimethylprosta-5,13-Dien-1-Oic Acid

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Properties Simple | Detailed

Formula C22H38O5
IUPAC Name (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3r)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular Mass 382.534 g·mol−1
Heat of Formation -1169.3 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 510.17 Å 3
Surface Area 386.58 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (5z,9alpha,11alpha,13e,15s)-9,11,15-trihydroxy-16,16-dimethylprosta-5,13-dien-1-oic acid
  • (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3r)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3r)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid
  • 16,16-dimethyl pgf2 alpha
  • 16,16-dimethyl-pgf2alpha
  • 16,16-dimethylprostaglandin f2alpha
CAS Number(s)
  • 39746-23-1
InChIKey YMRWVEHSLXJOCD-SCOYTADVSA-N
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