[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] (2S)-2-Amino-3-Indol-1-Ium-7A-Ylium-3-Yl-Propanoate
Properties
| Property | Value |
|---|---|
| Formula | C21H24N7O8P |
| IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] (2s)-2-amino-3-indol-1-ium-7a-ylium-3-yl-propanoate |
| Molecular Mass | 533.431 g·mol−1 |
| Heat of Formation | -1316.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.25 ± 1.08 D |
| Volume | 571.41 Å 3 |
| Surface Area | 425.24 Å 2 |
| HOMO Energy | -8.39 ± 0.55 eV |
| LUMO Energy | -0.78 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XMIONTMEZBNKSY-SQIXAUHQSA-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 |