[(2R,3R,4S,5S)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-5-[[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] 2-(Methylamino)Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C18H23N6O14P3 |
| IUPAC Name | [(2r,3r,4s,5s)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-(methylamino)benzoate |
| Molecular Mass | 640.328 g·mol−1 |
| Heat of Formation | -3186.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.25 ± 1.08 D |
| Volume | 617.28 Å 3 |
| Surface Area | 441.09 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | -1.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WJGXPYBVWFFCOM-HVOFVXBASA-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 |