[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxymethoxy]-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C21H28N7O11P++ |
| IUPAC Name | [(2r,3s,5r)-3-[[(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxymethoxy]-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 585.461 g·mol−1 |
| Heat of Formation | -1983.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.56 ± 1.08 D |
| Volume | 615.19 Å 3 |
| Surface Area | 514.09 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | -0.66 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RJPKVODOVDLHEH-KPRKPIBOSA-Q |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |