[(2R,3S,4R,5R)-3,4-Dihydroxy-5-[6-(Isopentylamino)-2-Methylsulfanyl-Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C16H28N5O7PS |
| IUPAC Name | [(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(isopentylamino)-2-methylsulfanyl-purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 465.462 g·mol−1 |
| Heat of Formation | -1430.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.11 ± 1.08 D |
| Volume | 512.8 Å 3 |
| Surface Area | 436.35 Å 2 |
| HOMO Energy | -8.51 ± 0.55 eV |
| LUMO Energy | -0.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LIDIUMJKCYDAFE-SDBHATRESA-O |
| QR Code | Generate QR Code |
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| Elements | C H O N P S |