[(2R,3R,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Bis(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl (3R)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-({3-Oxo-3-[(2-Sulfanylethyl)Amino]Propyl}Amino)Butyl Dihydrogen Diphosphat E (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C21H37N7O19P4S |
| IUPAC Name | [[(2r,3r,4r,5r)-5-(6-aminopurin-9-ium-6-ylium-9-yl)-3,4-diphosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate |
| Molecular Mass | 847.514 g·mol−1 |
| Heat of Formation | -4500.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.66 ± 1.08 D |
| Volume | 871.83 Å 3 |
| Surface Area | 697.55 Å 2 |
| HOMO Energy | -9.02 ± 0.55 eV |
| LUMO Energy | -1.51 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SAXULFDJRFDTDN-IBOSZNHHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |