5-Ethynyl-1-(β-D-Glucopyranosyl)-2,4(1H,3H)-Pyrimidinedione
Properties
| Property | Value |
|---|---|
| Formula | C12H16N2O7++ |
| IUPAC Name | 5-ethynyl-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1h-pyrimidine-1,3-diium-2,4-dione |
| Molecular Mass | 300.265 g·mol−1 |
| Heat of Formation | -973.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.41 ± 1.08 D |
| Volume | 268.18 Å 3 |
| Surface Area | 236.76 Å 2 |
| HOMO Energy | -9.54 ± 0.55 eV |
| LUMO Energy | 2.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DSYJZEAWLKMMLW-ZBGLXGBJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |