3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-6-Methyl-5H-Pyrrolo[2,3-D]Pyrimidine-1,7-Diium-5-Id-2-One
Properties
| Property | Value |
|---|---|
| Formula | C12H17N3O5 |
| IUPAC Name | 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-5h-pyrrolo[2,3-d]pyrimidine-1,7-diium-5-id-2-one |
| Molecular Mass | 283.281 g·mol−1 |
| Heat of Formation | -728.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.99 ± 1.08 D |
| Volume | 304.82 Å 3 |
| Surface Area | 275.53 Å 2 |
| HOMO Energy | -8.81 ± 0.55 eV |
| LUMO Energy | -1.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NACBWLZMAKINCE-CWUIGSMPSA-P |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |