3-[Dimethyl(3-{[(3α,5Beta,7α,8Xi,12α,17Xi)-3,7,12-Trihydroxy-24-Oxocholan-24-Yl]Amino}Propyl)Ammonio]-1-Propanesulfonate
Properties
| Property | Value |
|---|---|
| Formula | C32H58N2O7S |
| IUPAC Name | 3-[dimethyl-[3-[[(4r)-4-[(3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]ammonio]propane-1-sulfonate |
| Molecular Mass | 614.877 g·mol−1 |
| Heat of Formation | -1608.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 13.94 ± 1.08 D |
| Volume | 758.61 Å 3 |
| Surface Area | 500.65 Å 2 |
| HOMO Energy | -9.38 ± 0.55 eV |
| LUMO Energy | 2.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UMCMPZBLKLEWAF-KIDNZDRCSA-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 N |