Taurochenodeoxycholic Acid
Properties
Property | Value |
---|---|
Formula | C26H44NO6S- |
IUPAC Name | 2-[[(4r)-4-[(3r,5s,7r,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]ethanesulfonate |
Molecular Mass | 498.696 g·mol−1 |
Heat of Formation | -1457.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.02 ± 1.08 D |
Volume | 613.77 Å 3 |
Surface Area | 444.03 Å 2 |
HOMO Energy | -9.85 ± 0.55 eV |
LUMO Energy | 0.11 ± eV |
Point Group Symmetry | C1 |
InChIKey | BHTRKEVKTKCXOH-FDPIUZEESA-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 |