[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-[[7-(Diethylamino)-2-Oxo-Chromene-3-Carbonyl]Amino]-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C24H32N7O12P2+ |
| IUPAC Name | [(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-[[7-(diethylamino)-2-oxo-chromene-3-carbonyl]amino]-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate |
| Molecular Mass | 672.498 g·mol−1 |
| Heat of Formation | -2397.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.02 ± 1.08 D |
| Volume | 699.86 Å 3 |
| Surface Area | 572.96 Å 2 |
| HOMO Energy | -8.71 ± 0.55 eV |
| LUMO Energy | -1.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MJWFZMXFYCKCCH-ZLFGVDQTSA-P |
| 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 |