(2S,3R,4R,5R)-2-(Hydroxymethyl)-5-[6-[(5-Hydroxy-3H-Pyridin-1-Ium-3-Id-2-Yl)Methylamino]Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-3,4-Diol
Properties
| Property | Value |
|---|---|
| Formula | C16H18N6O5 |
| IUPAC Name | (2s,3r,4r,5r)-2-(hydroxymethyl)-5-[6-[(5-hydroxy-3h-pyridin-1-ium-3-id-2-yl)methylamino]purine-1,3,7-triium-9-yl]tetrahydrofuran-3,4-diol |
| Molecular Mass | 374.351 g·mol−1 |
| Heat of Formation | -511.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.62 ± 1.08 D |
| Volume | 410.66 Å 3 |
| Surface Area | 359.37 Å 2 |
| HOMO Energy | -9.04 ± 0.55 eV |
| LUMO Energy | 2.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PWIIJXBGRQGTFB-CNXAATOLSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |