(3α,5α,8Xi,9Xi,14Xi,17Beta)-17-Acetoxy-2,16-Bis(4,4-Dimethylpiperazin-4-Ium-1-Yl)-3-Hydroxyandrostane
Properties
| Property | Value |
|---|---|
| Formula | C33H60N4O3++ |
| IUPAC Name | [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate |
| Molecular Mass | 560.854 g·mol−1 |
| Heat of Formation | -32.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.42 ± 1.08 D |
| Volume | 739.4 Å 3 |
| Surface Area | 546.81 Å 2 |
| HOMO Energy | -1.79 ± 0.55 eV |
| LUMO Energy | -0.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FJHUVPAYHMPQGM-ZZZJANDJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |