N-[(3α,5Beta,7Beta,8Xi,9Xi,14Xi)-3,7-Dihydroxy-24-Oxocholan-24-Yl]-N-Methylglycine
Properties
| Property | Value |
|---|---|
| Formula | C27H45NO5 |
| 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]-methyl-amino]acetate |
| Molecular Mass | 463.650 g·mol−1 |
| Heat of Formation | -1006.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.43 ± 1.08 D |
| Volume | 576.35 Å 3 |
| Surface Area | 448.51 Å 2 |
| HOMO Energy | -10.19 ± 0.55 eV |
| LUMO Energy | 0.01 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YZYBIGOLMMAZFK-IMLYGNJHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |