[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3R,5S)-3-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C20H26N7O10P++ |
| IUPAC Name | [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,5s)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl] hydrogen phosphate |
| Molecular Mass | 555.435 g·mol−1 |
| Heat of Formation | -1883.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.87 ± 1.08 D |
| Volume | 584.23 Å 3 |
| Surface Area | 407.93 Å 2 |
| HOMO Energy | -8.85 ± 0.55 eV |
| LUMO Energy | -0.74 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CZUVNFBLJDJLIC-XSBNNCSWSA-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 |