[[[(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-Chloroethyl)-N-Methyl-Phosphonamidic Acid
Properties
| Property | Value |
|---|---|
| Formula | C13H22ClN6O12P3 |
| 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-chloroethyl)-n-methyl-phosphonamidic acid |
| Molecular Mass | 582.721 g·mol−1 |
| Heat of Formation | -2864.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.05 ± 1.08 D |
| Volume | 563.65 Å 3 |
| Surface Area | 411.02 Å 2 |
| HOMO Energy | -8.51 ± 0.55 eV |
| LUMO Energy | -1.12 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DWAZYHIFOMUQGE-QYVSTXNMSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N P |