[(2S,3Ar,4R,6R,6Ar)-4-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-Hydroxy-2-Oxo-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-6-Yl]Methyl Sulfo Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C10H15N5O12P2S |
| IUPAC Name | [(2s,3ar,4r,6r,6ar)-4-(6-aminopurine-1,3,7-triium-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl sulfo hydrogen phosphate |
| Molecular Mass | 491.265 g·mol−1 |
| Heat of Formation | -2477.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.41 ± 1.08 D |
| Volume | 439.33 Å 3 |
| Surface Area | 351.82 Å 2 |
| HOMO Energy | -9.44 ± 0.55 eV |
| LUMO Energy | -0.97 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DQNAJGKVJKQIOH-KQYNXXCUSA-O |
| 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 |