N-[(3α,5Beta,7α)-7-Hydroxy-24-Oxo-3-(Sulfooxy)Cholan-24-Yl]Glycine
Properties
| Property | Value |
|---|---|
| Formula | C26H43NO8S |
| IUPAC Name | 2-[[(4r)-4-[(3r,5r,7r,8r,9s,10s,13r,14s,17r)-7-hydroxy-3-hydroxysulfonyloxy-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]acetic acid |
| Molecular Mass | 529.687 g·mol−1 |
| Heat of Formation | -1694.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.98 ± 1.08 D |
| Volume | 629.53 Å 3 |
| Surface Area | 491.0 Å 2 |
| HOMO Energy | -10.17 ± 0.55 eV |
| LUMO Energy | -0.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DKXXSIJHWWVNMO-MSNWRUJOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |