[[(2S,3R,4R)-4-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-(Hydroxymethyl)Oxetan-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C10H16N5O12P3 |
| IUPAC Name | [[(2s,3r,4r)-4-(6-aminopurine-1,3,7-triium-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 491.182 g·mol−1 |
| Heat of Formation | -2836.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.51 ± 1.08 D |
| Volume | 467.37 Å 3 |
| Surface Area | 343.41 Å 2 |
| HOMO Energy | -8.99 ± 0.55 eV |
| LUMO Energy | -1.80 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZWPCTGPFFWXQTJ-OXOINMOOSA-O |
| 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 |