2-{[(3α,5Beta,7α)-3,7-Dihydroxy-24-Oxocholan-24-Yl]Amino}Ethanesulfonatato
Properties
Property | Value |
---|---|
Formula | C26H45NO6S |
IUPAC Name | 2-[[(4r)-4-[(3r,5s,7s,8r,9s,10s,13r,14s,17r)-3,7-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]pentanoyl]amino]ethanesulfonic acid |
Molecular Mass | 499.704 g·mol−1 |
Heat of Formation | -1460.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.65 ± 1.08 D |
Volume | 617.1 Å 3 |
Surface Area | 417.47 Å 2 |
HOMO Energy | -9.60 ± 0.55 eV |
LUMO Energy | 0.19 ± eV |
Point Group Symmetry | C1 |
InChIKey | BHTRKEVKTKCXOH-NLDAGDBJSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H S C O N |