[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-[[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] 2-(Methylamino)Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C18H23N6O14P3 |
| IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-(methylamino)benzoate |
| Molecular Mass | 640.328 g·mol−1 |
| Heat of Formation | -3064.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.19 ± 1.08 D |
| Volume | 639.43 Å 3 |
| Surface Area | 531.13 Å 2 |
| HOMO Energy | -8.35 ± 0.55 eV |
| LUMO Energy | -1.54 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YDTHGXNQIAHPKD-LSCFUAHRSA-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 |