N-[(5Xi,8Xi,9Xi,10Xi,13Xi,14Xi,17Xi,20Xi)-3,12-Dihydroxy-24-Oxocholan-24-Yl]Tyrosine
Properties
| Property | Value |
|---|---|
| Formula | C33H49NO6 |
| IUPAC Name | (2s)-2-[[(4r)-4-[(3r,5r,8s,9r,10s,12s,13r,14r,17r)-3,12-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]-3-(4-hydroxyphenyl)propanoic acid |
| Molecular Mass | 555.745 g·mol−1 |
| Heat of Formation | -1355.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.18 ± 1.08 D |
| Volume | 704.05 Å 3 |
| Surface Area | 535.12 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | 3.02 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NABZNAJLBCRTJM-NEYGSDFOSA-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 |