(6α,8Xi,10Xi,13Xi,14Xi)-21-Chloro-6,9-Difluoro-11-Hydroxy-16-Methyl-3,20-Dioxopregna-1,4-Dien-17-Yl Propionate

Molecule SVG Image

Properties Simple | Detailed

Formula C25H31ClF2O5
IUPAC Name [(6s,8s,9r,10s,11r,13s,14s,16s,17r)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Molecular Mass 484.960 g·mol−1
Heat of Formation -1362.6 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 546.43 Å 3
Surface Area 404.68 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
InChIKey BDSYKGHYMJNPAB-DNLFXOPGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O Cl