[[(3R)-4-[[3-[(4-Amino-4-Oxo-Butyl)Amino]-3-Oxo-Propyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxo-Butoxy]-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C23H41N8O17P3 |
| IUPAC Name | [[(3r)-4-[[3-[(4-amino-4-oxo-butyl)amino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Molecular Mass | 794.536 g·mol−1 |
| Heat of Formation | -3884.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.48 ± 1.08 D |
| Volume | 838.68 Å 3 |
| Surface Area | 685.48 Å 2 |
| HOMO Energy | -9.30 ± 0.55 eV |
| LUMO Energy | -1.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PUERILZQVVVUII-GRFIIANRSA-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 |