[(2R,3R,4R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-5-Benzyl-4-[(2R,3R,4R,5R,6R)-3-Hydroxy-6-(Hydroxymethyl)-4,5-Diphosphonooxy-Tetrahydropyran-2-Yl]Oxy-Tetrahydrofuran-3-Yl] Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C22H30N5O17P3 |
| IUPAC Name | [(2r,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-benzyl-4-[(2r,3r,4r,5r,6r)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxy-tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl] dihydrogen phosphate |
| Molecular Mass | 729.418 g·mol−1 |
| Heat of Formation | -3657.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.96 ± 1.08 D |
| Volume | 740.86 Å 3 |
| Surface Area | 563.08 Å 2 |
| HOMO Energy | -9.03 ± 0.55 eV |
| LUMO Energy | -0.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XOYNAUYQLHORSQ-NYCICKCISA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |