[(2S,3S,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methylsulfanylphosphonic Acid
Properties
| Property | Value |
|---|---|
| Formula | C10H16N5O6PS+ |
| IUPAC Name | [(2s,3s,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methylsulfanylphosphonic acid |
| Molecular Mass | 365.303 g·mol−1 |
| Heat of Formation | -1112.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.09 ± 1.08 D |
| Volume | 368.66 Å 3 |
| Surface Area | 329.18 Å 2 |
| HOMO Energy | -8.97 ± 0.55 eV |
| LUMO Energy | -0.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZJOZCUDKDVFPJU-KVQBGUIXSA-P |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |