1-(β-D-Glucopyranosyl)-5-(Trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione
Properties
| Property | Value |
|---|---|
| Formula | C11H13F3N2O7 |
| IUPAC Name | 5-(trifluoromethyl)-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione |
| Molecular Mass | 342.225 g·mol−1 |
| Heat of Formation | -1880.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.74 ± 1.08 D |
| Volume | 338.63 Å 3 |
| Surface Area | 294.78 Å 2 |
| HOMO Energy | -10.49 ± 0.55 eV |
| LUMO Energy | -1.23 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NADUQTKHANBUDE-XSEHCYKFSA-P |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |