[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methyl-Tetrahydrofuran-2-Yl]-2-(2,4-Dinitrophenyl)Sulfanyl-Purine-1,3,7-Triium-6-Yl] [Hydroxy(Phosphonooxy)Phosphoryl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C16H17N6O17P3S |
| IUPAC Name | [9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-2-(2,4-dinitrophenyl)sulfanyl-purine-1,3,7-triium-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate |
| Molecular Mass | 690.322 g·mol−1 |
| Heat of Formation | -3013.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.22 ± 1.08 D |
| Volume | 639.03 Å 3 |
| Surface Area | 471.44 Å 2 |
| HOMO Energy | -9.11 ± 0.55 eV |
| LUMO Energy | -1.85 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SZMKRWBCLJBLCL-CHOYNLESSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |