2-Fluoro-3-{[(3α,5Beta,7α,8Xi,9Xi,12α,14Xi)-3,7,12-Trihydroxy-24-Oxocholan-24-Yl]Amino}Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C27H44FNO6 |
| IUPAC Name | (2s)-2-fluoro-3-[[(4r)-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-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]propanoic acid |
| Molecular Mass | 497.640 g·mol−1 |
| Heat of Formation | -1617.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.73 ± 1.08 D |
| Volume | 616.45 Å 3 |
| Surface Area | 439.0 Å 2 |
| HOMO Energy | -9.97 ± 0.55 eV |
| LUMO Energy | 0.45 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XPDXADLFWGSPSP-QCBZUUICSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |