[[[(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-N-(2-Hydroxyethyl)-N-Methyl-Phosphonamidic Acid
Properties
| Property | Value |
|---|---|
| Formula | C13H23N6O13P3 |
| IUPAC Name | [[[(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-n-(2-hydroxyethyl)-n-methyl-phosphonamidic acid |
| Molecular Mass | 564.275 g·mol−1 |
| Heat of Formation | -2996.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.82 ± 1.08 D |
| Volume | 556.14 Å 3 |
| Surface Area | 401.09 Å 2 |
| HOMO Energy | -8.84 ± 0.55 eV |
| LUMO Energy | -1.50 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RHRSKCSYFRPACT-QYVSTXNMSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |