[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-[[Hydroxy(Phosphonooxy)Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] 5-(Dimethylamino)Naphthalene-1-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C23H26N6O11P2 |
| IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 5-(dimethylamino)naphthalene-1-carboxylate |
| Molecular Mass | 624.434 g·mol−1 |
| Heat of Formation | -2158.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.80 ± 1.08 D |
| Volume | 650.06 Å 3 |
| Surface Area | 491.16 Å 2 |
| HOMO Energy | -9.03 ± 0.55 eV |
| LUMO Energy | -1.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VJFCKEAKEZESMJ-WGQQHEPDSA-O |
| QR Code | Generate QR Code |
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| Elements | P C H O N |