(2-Amino-2-Oxo-Ethyl)Sulfanyl-[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Phosphinic Acid
Properties
| Property | Value |
|---|---|
| Formula | C12H21N6O13P3S |
| IUPAC Name | (2-amino-2-oxo-ethyl)sulfanyl-[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-phosphinic acid |
| Molecular Mass | 582.314 g·mol−1 |
| Heat of Formation | -2998.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.58 ± 1.08 D |
| Volume | 553.46 Å 3 |
| Surface Area | 439.75 Å 2 |
| HOMO Energy | -9.01 ± 0.55 eV |
| LUMO Energy | -1.58 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QPVBDQPGWNLENX-JJNLEZRASA-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 |