[[(2S,3R,5S)-5-[2-(4-Butylanilino)-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C20H30N5O13P3+ |
| IUPAC Name | [[(2s,3r,5s)-5-[2-(4-butylanilino)-6-oxo-3h-purine-1,7-diium-4-id-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 641.399 g·mol−1 |
| Heat of Formation | -3081.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.36 ± 1.08 D |
| Volume | 655.72 Å 3 |
| Surface Area | 494.83 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | -1.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GPOKAZLJCWCBEY-PMPSAXMXSA-P |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |