3,4,16-Trihydroxypregn-20-En-2-Yl Hydrogen Sulfate
Properties
Property | Value |
---|---|
Formula | C21H34O7S |
IUPAC Name | [(2s,3r,4r,5r,8r,9s,10r,13s,14s,16s,17r)-3,4,16-trihydroxy-10,13-dimethyl-17-vinyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-2-yl] hydrogen sulfate |
Molecular Mass | 430.555 g·mol−1 |
Heat of Formation | -1402.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.40 ± 1.08 D |
Volume | 500.47 Å 3 |
Surface Area | 381.71 Å 2 |
HOMO Energy | -9.81 ± 0.55 eV |
LUMO Energy | -0.43 ± eV |
Point Group Symmetry | C1 |
InChIKey | PALXRPIPFWOBFC-QCNKIUQCSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O |