O-[(8Xi,9Xi,14Xi)-17-Oxoestra-1,3,5(10)-Trien-3-Yl] Hydrogen Methylphosphonothioate
Properties
Property | Value |
---|---|
Formula | C19H25O3PS |
IUPAC Name | (8r,9s,13s,14s)-3-[hydroxy(methyl)phosphinothioyl]oxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one |
Molecular Mass | 364.439 g·mol−1 |
Heat of Formation | -784.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.68 ± 1.08 D |
Volume | 430.28 Å 3 |
Surface Area | 359.47 Å 2 |
HOMO Energy | -8.60 ± 0.55 eV |
LUMO Energy | -0.45 ± eV |
Point Group Symmetry | C1 |
InChIKey | OPFKWSWJXPDBJS-WKUNYAQLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P S C O H |