(3α)-17-Acetoxy-3-Hydroxy-16-(1-Methyl-1-Piperidiniumyl)-2-(4-Morpholinyl)Androstane
Properties
| Property | Value |
|---|---|
| Formula | C31H53N2O4+ |
| IUPAC Name | [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate |
| Molecular Mass | 517.764 g·mol−1 |
| Heat of Formation | 4328.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.91 ± 1.08 D |
| Volume | 513.25 Å 3 |
| Surface Area | 435.27 Å 2 |
| HOMO Energy | -9.09 ± 0.55 eV |
| LUMO Energy | -2.95 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DHYOZTTVCWLBTR-ZZOZYBFPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |