[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-[[(2S)-2-Formamido-4-Methylsulfanyl-Butanoyl]Amino]-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C16H24N7O8PS |
| IUPAC Name | [(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-[[(2s)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 505.443 g·mol−1 |
| Heat of Formation | -1480.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.50 ± 1.08 D |
| Volume | 540.44 Å 3 |
| Surface Area | 452.28 Å 2 |
| HOMO Energy | -8.41 ± 0.55 eV |
| LUMO Energy | -0.69 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SGALMDIWYGSKES-GBPQWNHNSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |