(5Z)-7-{(1R,2R,3R,5R)-5-Chloro-2-[(1E,3S)-3-Cyclohexyl-3-Hydroxy-1-Propen-1-Yl]-3-Hydroxycyclopentyl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C21H33ClO4
IUPAC Name (z)-7-[(1r,2r,3r,5r)-5-chloro-2-[(e,3s)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-3-hydroxy-cyclopentyl]hept-5-enoic acid
Molecular Mass 384.937 g·mol−1
Heat of Formation -983.5 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 483.98 Å 3
Surface Area 361.75 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r,5r)-5-chloro-2-[(e,3s)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-3-hydroxy-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r,5r)-5-chloro-2-[(e,3s)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid
  • 5-heptenoic acid, 7-(5-chloro-2-(3-cyclohexyl-3-hydroxy-1-propenyl)-3-hydroxycyclopentyl)-, (1r-(1alpha(z),2beta(1e,3s*),3alpha,5beta))-
  • 9-deoxy-9-chloro-16,17,18,19,20-pentanor-15-cyclohexyl-pgf2alpha
  • zk 110841
  • zk-110 841
CAS Number(s)
  • 105595-17-3
InChIKey ZOQXTNLUBHPZOZ-ONQJZQEDSA-N
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Elements H C O Cl