[[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Phosphonooxy-Phosphoryl]Oxy-N-[[4-[2-Chloroethyl(Methyl)Amino]Phenyl]Methyl]Phosphonamidic Acid
Properties
| Property | Value |
|---|---|
| Formula | C20H29ClN7O11P3 |
| IUPAC Name | [[(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-phosphonooxy-phosphoryl]oxy-n-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]phosphonamidic acid |
| Molecular Mass | 671.859 g·mol−1 |
| Heat of Formation | -2631.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.86 ± 1.08 D |
| Volume | 704.98 Å 3 |
| Surface Area | 501.98 Å 2 |
| HOMO Energy | -8.73 ± 0.55 eV |
| LUMO Energy | -1.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NDBUWPMUDQAAIY-AGZGJUBISA-O |
| QR Code | Generate QR Code |
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| Elements | C Cl H O N P |