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 | [(2r,3s,5r)-2-(2,2-dimethylpropanoyloxymethyl)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]tetrahydrofuran-3-yl] 1-methyl-4h-pyridine-3-carboxylate |
Molecular Mass | 501.453 g·mol−1 |
Heat of Formation | -1867.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.36 ± 1.08 D |
Volume | 555.46 Å 3 |
Surface Area | 451.81 Å 2 |
HOMO Energy | -8.43 ± 0.55 eV |
LUMO Energy | 2.00 ± eV |
Point Group Symmetry | C1 |
InChIKey | PUUXKDCZTQOAGJ-XHSDSOJGSA-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 |