[[(2S,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2R)-2-Amino-6-[[(2S,3R)-3-Methylpyrrolidine-2-Carbonyl]Amino]Hexanoate
Properties
| Property | Value |
|---|---|
| Formula | C22H37N8O9P |
| IUPAC Name | [[(2s,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2r)-2-amino-6-[[(2s,3r)-3-methylpyrrolidine-2-carbonyl]amino]hexanoate |
| Molecular Mass | 588.551 g·mol−1 |
| Heat of Formation | -1769.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.00 ± 1.08 D |
| Volume | 654.58 Å 3 |
| Surface Area | 561.43 Å 2 |
| HOMO Energy | -8.98 ± 0.55 eV |
| LUMO Energy | -0.45 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LKCFEFAHELTQQV-CWEHIGOWSA-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 |