2-(2-Deoxy-3-O-Phosphono-β-D-Erythro-Pentofuranosyl)-7-Hydroxypyrimido[1,6-A]Benzimidazol-1(2H)-One
Properties
| Property | Value |
|---|---|
| Formula | C15H16N3O8P |
| IUPAC Name | [(2r,3s,5r)-2-(hydroxymethyl)-5-(7-hydroxy-1-oxo-pyrimido[1,6-a]benzimidazol-2-yl)tetrahydrofuran-3-yl] dihydrogen phosphate |
| Molecular Mass | 397.277 g·mol−1 |
| Heat of Formation | -1485.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.48 ± 1.08 D |
| Volume | 406.47 Å 3 |
| Surface Area | 355.34 Å 2 |
| HOMO Energy | -8.83 ± 0.55 eV |
| LUMO Energy | -1.22 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JJJAJFXQFVWTCD-SCRDCRAPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |