3-{[(5β,7Alpha,8Xi,9Xi,12Alpha,14Xi,17Alpha)-7,12-Dihydroxy-24-Oxocholan-24-Yl]Amino}-N,N-Dimethyl-N-(3-Sulfopropyl)-1-Propanaminium
Properties
| Property | Value |
|---|---|
| Formula | C32H59N2O6S+ |
| IUPAC Name | (4r)-4-[(5s,7r,8s,9r,10s,12s,13r,14r,17s)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-n-[3-(dimethylamino)propyl]pentanamide; 1-sulfopropane |
| Molecular Mass | 599.886 g·mol−1 |
| Heat of Formation | 3491.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 15.10 ± 1.08 D |
| Volume | 605.39 Å 3 |
| Surface Area | 522.45 Å 2 |
| HOMO Energy | -8.19 ± 0.55 eV |
| LUMO Energy | -3.46 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZQDSFVARABYERY-ALJDMVHWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S C O N |