[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C20H27N7O13P2++ |
| IUPAC Name | [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Molecular Mass | 635.415 g·mol−1 |
| Heat of Formation | -2733.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.19 ± 1.08 D |
| Volume | 647.17 Å 3 |
| Surface Area | 449.93 Å 2 |
| HOMO Energy | -9.03 ± 0.55 eV |
| LUMO Energy | 2.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MYLHSBWGYPSMCW-BBZRCZKMSA-Q |
| 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 |