(1S)-1,4-Anhydro-1-[7-Oxo(1,6-~2~H_2_)-6,7-Dihydro-1H-Pyrazolo[4,3-D]Pyrimidin-3-Yl]-D-(O~2~,O~3~,O~5~-~2~H_3_)Ribitol
Properties
| Property | Value |
|---|---|
| Formula | C10H12N4O5 |
| IUPAC Name | 3-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4h-pyrazolo[4,3-d]pyrimidine-2,6-diium-3-ylium-7-one |
| Molecular Mass | 268.226 g·mol−1 |
| Heat of Formation | -558.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.61 ± 1.08 D |
| Volume | 286.13 Å 3 |
| Surface Area | 259.45 Å 2 |
| HOMO Energy | -9.54 ± 0.55 eV |
| LUMO Energy | -0.89 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MTCJZZBQNCXKAP-PQZFFIDOSA-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 |