[(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C20H27N10O9P+ |
| IUPAC Name | [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate |
| Molecular Mass | 582.464 g·mol−1 |
| Heat of Formation | -1392.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 13.45 ± 1.08 D |
| Volume | 606.25 Å 3 |
| Surface Area | 455.74 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | -1.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NYXGWCHNVBMRTE-LSUSWQKBSA-Q |
| 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 |