N-[(3α,12α)-3,12-Dihydroxy-24-Oxocholan-24-Yl]-L-Tyrosine
Properties
Property | Value |
---|---|
Formula | C33H49NO6 |
IUPAC Name | (2s)-2-[[(4r)-4-[(3r,5r,8r,9s,10s,12s,13r,14s,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 | -1385.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.25 ± 1.08 D |
Volume | 701.34 Å 3 |
Surface Area | 484.31 Å 2 |
HOMO Energy | -9.14 ± 0.55 eV |
LUMO Energy | 2.93 ± eV |
Point Group Symmetry | C1 |
InChIKey | NABZNAJLBCRTJM-LAYWWTAYSA-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 |