(E)-N-[(2R,3S,4S,5R)-5-[6-(Dimethylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]-3-(6-Methyl-2,4-Dioxo-1H-Pyrimidin-5-Yl)Prop-2-Enamide
Properties
| Property | Value |
|---|---|
| Formula | C20H24N8O7++ |
| IUPAC Name | (e)-n-[(2r,3s,4s,5r)-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-methyl-2,6-dioxo-pyrimidin-5-yl)prop-2-enamide |
| Molecular Mass | 488.454 g·mol−1 |
| Heat of Formation | -896.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.67 ± 1.08 D |
| Volume | 530.94 Å 3 |
| Surface Area | 460.12 Å 2 |
| HOMO Energy | -8.30 ± 0.55 eV |
| LUMO Energy | -1.39 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HIZFUBNHHOVUDF-RGBYQPEQSA-Q |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |