[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-[[5-(Dimethylamino)-1-Naphthyl]Sulfonylamino]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C22H28N7O14P3S |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 739.482 g·mol−1 |
| Heat of Formation | -3096.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.54 ± 1.08 D |
| Volume | 721.75 Å 3 |
| Surface Area | 480.79 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | -1.94 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JHUTVXCTMQRBJW-YDVTWLGESA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |