1-{2-Deoxy-3,5-O-[(4-Nitrophenyl)(Phosphono)Methylene]-β-D-Threo-Pentofuranosyl}-5-Methyl-2,4(1H,3H)-Pyrimidinedione
Properties
| Property | Value |
|---|---|
| Formula | C17H18N3O10P |
| IUPAC Name | [(2r,4ar,6r,7ar)-6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(4-nitrophenyl)-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid |
| Molecular Mass | 455.313 g·mol−1 |
| Heat of Formation | 1011.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.61 ± 1.08 D |
| Volume | 430.09 Å 3 |
| Surface Area | 394.78 Å 2 |
| HOMO Energy | -9.45 ± 0.55 eV |
| LUMO Energy | -2.56 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BODNGCHFOUEZME-VMUDFCTBSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O N |