[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(3R)-4-[[3-[2-[2-(2,4-Dihydroxyphenyl)-2-Oxo-Ethyl]Sulfanylethylamino]-3-Oxo-Propyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxo-Butyl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C29H44N7O19P3S |
| 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)-4-[[3-[2-[2-(2,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanylethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] hydrogen phosphate |
| Molecular Mass | 919.681 g·mol−1 |
| Heat of Formation | -4096.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.33 ± 1.08 D |
| Volume | 963.72 Å 3 |
| Surface Area | 788.74 Å 2 |
| HOMO Energy | -8.87 ± 0.55 eV |
| LUMO Energy | -1.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KSERBQWJRKLOIY-VXAHOBLNSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |