(5Z)-7-{(1R,2S,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-Hydroxy-1-Nonyn-1-Yl]Cyclopentyl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C21H34O5
IUPAC Name (z)-7-[(1r,2s,3r,5s)-3,5-dihydroxy-2-[(3s)-3-hydroxynon-1-ynyl]cyclopentyl]hept-5-enoic acid
Molecular Mass 366.492 g·mol−1
Heat of Formation -978.4 ± 16.7 kJ·mol−1
Dipole Moment 1.36 ± 1.08 D
Volume 491.8 Å 3
Surface Area 379.03 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2s,3r,5s)-3,5-dihydroxy-2-[(3s)-3-hydroxynon-1-ynyl]cyclopentyl]hept-5-enoic acid
  • 20-methyl-13,14-(didehydroprostaglandin) f2alpha
  • 20-methyl-13,14-didehydro-pgf2alpha
  • prost-5-en-13-yn-1-oic acid, 9,11,15-trihydroxy-20-methyl-, (5z,9alpha,11alpha,15s)-
CAS Number(s)
  • 59476-66-3
InChIKey MAALIOOFFJXENL-UWJLIRLQSA-N
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