[(2R,3S,4R,5R)-5-(6-Amino-2-Methylsulfanyl-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C11H17N5O10P2S |
| IUPAC Name | [(2r,3s,4r,5r)-5-(6-amino-2-methylsulfanyl-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate |
| Molecular Mass | 473.293 g·mol−1 |
| Heat of Formation | -2157.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.77 ± 1.08 D |
| Volume | 464.61 Å 3 |
| Surface Area | 406.4 Å 2 |
| HOMO Energy | -8.60 ± 0.55 eV |
| LUMO Energy | -1.31 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JAAGPLSKJKDSCR-KQYNXXCUSA-O |
| QR Code | Generate QR Code |
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| Elements | C H O N P S |