[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2S)-2-Acetamido-3-Phenyl-Propanoate
Properties
| Property | Value |
|---|---|
| Formula | C21H25N6O9P |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-acetamido-3-phenyl-propanoate |
| Molecular Mass | 536.432 g·mol−1 |
| Heat of Formation | -1692.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.97 ± 1.08 D |
| Volume | 569.6 Å 3 |
| Surface Area | 398.61 Å 2 |
| HOMO Energy | -8.84 ± 0.55 eV |
| LUMO Energy | 2.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ITXUYGLNSNONMW-SWQDORGXSA-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 |