[[(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] (4-Formyl-5-Hydroxy-6-Methyl-Pyridin-1-Ium-3-Id-3-Yl)Methyl Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C18H24N6O13P2+ |
| 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] (4-formyl-5-hydroxy-6-methyl-pyridin-1-ium-3-id-3-yl)methyl hydrogen phosphate |
| Molecular Mass | 594.363 g·mol−1 |
| Heat of Formation | -2574.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.54 ± 1.08 D |
| Volume | 590.87 Å 3 |
| Surface Area | 406.0 Å 2 |
| HOMO Energy | -8.96 ± 0.55 eV |
| LUMO Energy | -1.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JAXFAOGEVUQGPW-IWCJZZDYSA-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 |