2-{[(3α,5Beta,7α)-3-Hydroxy-24-Oxo-7-(Sulfooxy)Cholan-24-Yl]Amino}Ethanesulfonic Acid
Properties
Property | Value |
---|---|
Formula | C26H45NO9S2 |
IUPAC Name | [(3r,5s,7r,8r,9s,10s,13r,14s,17r)-3-hydroxy-10,13-dimethyl-17-[(1r)-1-methyl-4-oxo-4-(2-sulfoethylamino)butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl] hydrogen sulfate |
Molecular Mass | 579.767 g·mol−1 |
Heat of Formation | -1955.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.27 ± 1.08 D |
Volume | 673.23 Å 3 |
Surface Area | 519.02 Å 2 |
HOMO Energy | -9.94 ± 0.55 eV |
LUMO Energy | -0.47 ± eV |
Point Group Symmetry | C1 |
InChIKey | WTKQKSAFONWCMW-BJLOMENOSA-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 |