{[(2Z)-4-{(1R,2R,3R,5S)-5-Chloro-2-[(1E,3S)-3-Cyclohexyl-3-Hydroxy-1-Propen-1-Yl]-3-Hydroxycyclopentyl}-2-Buten-1-Yl]Oxy}Acetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C20H31ClO5
IUPAC Name 2-[(z)-4-[(1r,2r,3r,5s)-5-chloro-2-[(e,3s)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-3-hydroxy-cyclopentyl]but-2-enoxy]acetic acid
Molecular Mass 386.910 g·mol−1
Heat of Formation -1058.2 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 480.97 Å 3
Surface Area 379.88 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(z)-4-[(1r,2r,3r,5s)-5-chloro-2-[(e,3s)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-3-hydroxy-cyclopentyl]but-2-enoxy]acetic acid
  • 2-[(z)-4-[(1r,2r,3r,5s)-5-chloro-2-[(e,3s)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-3-hydroxy-cyclopentyl]but-2-enoxy]ethanoic acid
  • 2-[(z)-4-[(1r,2r,3r,5s)-5-chloro-2-[(e,3s)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxycyclopentyl]but-2-enoxy]acetic acid
InChIKey FMTXAULTTDWRDV-FYWVHNJFSA-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