1-{2-Deoxy-5-O-(2,2-Dimethylpropanoyl)-3-O-[(1-Methyl-1,4-Dihydro-3-Pyridinyl)Carbonyl]-D-Erythro-Pentofuranosyl}-5-(Trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione
Properties
| Property | Value |
|---|---|
| Formula | C22H26F3N3O7 |
| IUPAC Name | carbon dioxide; [(2e)-2-[(4e)-4-(2-methylenecyclopropylidene)-6-[[3,3,3-trifluoro-2-(oxomethyleneammoniocarbonyl)propyl]amino]furo[3,2-d][1,3]dioxin-2-ylidene]pent-3-ynyl]-methylidyne-ammonium |
| Molecular Mass | 501.453 g·mol−1 |
| Heat of Formation | 1014.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 23.12 ± 1.08 D |
| Volume | 498.01 Å 3 |
| Surface Area | 436.02 Å 2 |
| HOMO Energy | -8.74 ± 0.55 eV |
| LUMO Energy | -3.02 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PUUXKDCZTQOAGJ-ARFHVFGLSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C N O F |