1-[(3Xi)-2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Glycero-Pentofuranosyl]-5-[(1E)-1-Propen-1-Yl]-2,4(1H,3H)-Pyrimidinedione
Properties
| Property | Value |
|---|---|
| Formula | C12H19N2O14P3 |
| IUPAC Name | dihydroxyphosphoryl [[(2r,3s,5r)-5-[2,4-dioxo-5-[(e)-prop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate |
| Molecular Mass | 508.206 g·mol−1 |
| Heat of Formation | -3446.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.74 ± 1.08 D |
| Volume | 483.64 Å 3 |
| Surface Area | 367.46 Å 2 |
| HOMO Energy | -9.04 ± 0.55 eV |
| LUMO Energy | -1.68 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CAXWPNQGBOGSQH-KETIJMSOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |