[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C19H26N8O14P2+ |
| IUPAC Name | [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate |
| Molecular Mass | 652.403 g·mol−1 |
| Heat of Formation | -2793.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.19 ± 1.08 D |
| Volume | 655.28 Å 3 |
| Surface Area | 471.91 Å 2 |
| HOMO Energy | -9.42 ± 0.55 eV |
| LUMO Energy | -0.92 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JHCQFQPAJIVODY-KPKSGTNCSA-P |
| QR Code | Generate QR Code |
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| Elements | P C H O N |