[(2S,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C10H16N5O13P3 |
| IUPAC Name | [(2s,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate |
| Molecular Mass | 507.181 g·mol−1 |
| Heat of Formation | -3031.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.44 ± 1.08 D |
| Volume | 477.9 Å 3 |
| Surface Area | 398.54 Å 2 |
| HOMO Energy | -9.13 ± 0.55 eV |
| LUMO Energy | -1.51 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VXSNWXVIWKBZDO-PERBPWGJSA-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 |