[[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-N-[[4-[2-Chloroethyl(Methyl)Amino]Phenyl]Methyl]Phosphonamidic Acid
Properties
| Property | Value |
|---|---|
| Formula | C20H31ClN7O13P3+ |
| IUPAC Name | [[[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]phosphonamidic acid |
| Molecular Mass | 705.874 g·mol−1 |
| Heat of Formation | -3005.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.36 ± 1.08 D |
| Volume | 711.69 Å 3 |
| Surface Area | 476.0 Å 2 |
| HOMO Energy | -8.89 ± 0.55 eV |
| LUMO Energy | -1.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ISCVYVWEWAHNKF-NVQRDWNXSA-P |
| 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 |