[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-4-Hydroxy-3-Methoxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C11H20N5O14P3+ |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 539.223 g·mol−1 |
| Heat of Formation | -3088.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.08 ± 1.08 D |
| Volume | 516.24 Å 3 |
| Surface Area | 394.51 Å 2 |
| HOMO Energy | -9.27 ± 0.55 eV |
| LUMO Energy | -1.46 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PDHQUFRUCRIQOS-KQYNXXCUSA-P |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |