[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(3R)-3-Hydroxy-4-[[3-[2-[5-(2-Indol-1-Ium-3-Ylethylamino)-5-Oxo-Pentyl]Sulfanylethylamino]-3-Oxo-Propyl]Amino]-2,2-Dimethyl-4-Oxo-Butyl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C36H56N9O17P3S |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3r)-3-hydroxy-4-[[3-[2-[5-(2-indol-1-ium-3-ylethylamino)-5-oxo-pentyl]sulfanylethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butyl] hydrogen phosphate |
| Molecular Mass | 1011.866 g·mol−1 |
| Heat of Formation | -3718.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.62 ± 1.08 D |
| Volume | 1114.29 Å 3 |
| Surface Area | 922.81 Å 2 |
| HOMO Energy | -8.58 ± 0.55 eV |
| LUMO Energy | -1.19 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NUSXPOXWLJVBRP-VTINEICCSA-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 |