[(2R,3S,5R)-3-Hydroxy-5-[6-[3-(Propyldisulfanyl)Propylamino]Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C16H28N5O6PS2 |
| IUPAC Name | [(2r,3s,5r)-3-hydroxy-5-[6-[3-(propyldisulfanyl)propylamino]purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 481.527 g·mol−1 |
| Heat of Formation | -1215.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.35 ± 1.08 D |
| Volume | 524.99 Å 3 |
| Surface Area | 464.31 Å 2 |
| HOMO Energy | -8.77 ± 0.55 eV |
| LUMO Energy | -0.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WNULNHOFBSEGFC-YNEHKIRRSA-O |
| QR Code | Generate QR Code |
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| Elements | C H O N P S |