Methyl 6-({(1R,2S,3R)-2-[(1E)-5-Cyclohexyl-3-Hydroxy-1-Penten-1-Yl]-3-Hydroxy-5-Oxocyclopentyl}Sulfanyl)Hexanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C23H38O5S
IUPAC Name methyl 6-[(1r,2s,3r)-2-[(e,3s)-5-cyclohexyl-3-hydroxy-pent-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]sulfanylhexanoate
Molecular Mass 426.610 g·mol−1
Heat of Formation -1125.2 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 558.72 Å 3
Surface Area 423.56 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
InChIKey HOMQOIVYFSPUGZ-OUDVCHGJSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O