(5Z,9B,11A,13E,15R)-9-Chloro-11,15-Dihydroxy-16,16-Dimethylprosta-5,13-Dien-1-Oic Acid

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Properties Simple | Detailed

Formula C22H37ClO4
IUPAC Name (z)-7-[(1r,2r,3r,5r)-5-chloro-3-hydroxy-2-[(e,3r)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular Mass 400.980 g·mol−1
Heat of Formation -1041.4 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 516.86 Å 3
Surface Area 389.56 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r,5r)-5-chloro-3-hydroxy-2-[(e,3r)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r,5r)-5-chloro-3-hydroxy-2-[(e,3r)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid
  • zk-84726
InChIKey AIOFTOLPMOTZKD-OPVFONCOSA-N
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Elements H C O Cl