(5E,9β,11Alpha,13E,15R)-9-Chloro-11,15-Dihydroxy-16,16-Dimethylprosta-5,13-Dien-1-Oic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C22H37ClO4
IUPAC Name (e)-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 -1054.6 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 518.19 Å 3
Surface Area 377.12 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-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
  • (e)-7-[(1r,2r,3r,5r)-5-chloro-3-hydroxy-2-[(e,3r)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid
InChIKey AIOFTOLPMOTZKD-UPEJMJFTSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl