[(2R,3S,4S,5R)-5-(6-Amino-2-Methylsulfanyl-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy(Phosphonooxy)Phosphoryl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C11H18N5O13P3S |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-amino-2-methylsulfanyl-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 553.273 g·mol−1 |
| Heat of Formation | -3064.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.77 ± 1.08 D |
| Volume | 533.58 Å 3 |
| Surface Area | 409.85 Å 2 |
| HOMO Energy | -8.71 ± 0.55 eV |
| LUMO Energy | -1.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XNOBOKJVOTYSJV-FCIPNVEPSA-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 |