4-{[(5Xi,8Xi,9Xi,10Xi,13Xi,14Xi,17Xi,20Xi)-3,7-Dihydroxy-24-Oxocholan-24-Yl]Amino}Benzoic Acid
Properties
Property | Value |
---|---|
Formula | C31H45NO5 |
IUPAC Name | 4-[[(4s)-4-[(3r,5r,7s,8r,9s,10r,13r,14r,17s)-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]benzoic acid |
Molecular Mass | 511.693 g·mol−1 |
Heat of Formation | -1141.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.26 ± 1.08 D |
Volume | 643.99 Å 3 |
Surface Area | 451.12 Å 2 |
HOMO Energy | -9.65 ± 0.55 eV |
LUMO Energy | -1.10 ± eV |
Point Group Symmetry | C1 |
InChIKey | XTAJJBNJCJLSMK-BPHFKLAESA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |