S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] (2R)-2-Hydroxy-4-Methyl-Pentanethioate
Properties
| Property | Value |
|---|---|
| Formula | C27H48N7O18P3S |
| IUPAC Name | s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2r)-2-hydroxy-4-methyl-pentanethioate |
| Molecular Mass | 883.692 g·mol−1 |
| Heat of Formation | -4085.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.87 ± 1.08 D |
| Volume | 938.74 Å 3 |
| Surface Area | 773.5 Å 2 |
| HOMO Energy | -9.19 ± 0.55 eV |
| LUMO Energy | -1.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CIGBSEOTNQGAOS-LYALRYAQSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |