[(2S,3S,5S)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-[[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] 2-Aminobenzoate
Properties
| Property | Value |
|---|---|
| Formula | C17H21N6O13P3 |
| IUPAC Name | [(2s,3s,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-aminobenzoate |
| Molecular Mass | 610.302 g·mol−1 |
| Heat of Formation | -2943.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.78 ± 1.08 D |
| Volume | 591.85 Å 3 |
| Surface Area | 412.12 Å 2 |
| HOMO Energy | -8.43 ± 0.55 eV |
| LUMO Energy | -1.34 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WTAVOYJIUMZCCT-AVGNSLFASA-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 |