[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C19H26N7O13P+++ |
| IUPAC Name | [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate |
| Molecular Mass | 591.423 g·mol−1 |
| Heat of Formation | -2276.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 13.72 ± 1.08 D |
| Volume | 594.94 Å 3 |
| Surface Area | 487.39 Å 2 |
| HOMO Energy | -9.09 ± 0.55 eV |
| LUMO Energy | -0.67 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KBANOBXWDXEFEE-VMIOUTBZSA-R |
| QR Code | Generate QR Code |
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| Elements | P C H O N |