1-{3,5-O-[(4-Carboxyphenyl)(Phosphono)Methylene]-2-Deoxy-β-D-Threo-Pentofuranosyl}-5-Methyl-2,4(1H,3H)-Pyrimidinedione
Properties
| Property | Value |
|---|---|
| Formula | C18H19N2O10P |
| IUPAC Name | 4-[(2r,4ar,6r,7ar)-6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-phosphono-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3]dioxin-2-yl]benzoic acid |
| Molecular Mass | 454.325 g·mol−1 |
| Heat of Formation | -1941.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.28 ± 1.08 D |
| Volume | 467.59 Å 3 |
| Surface Area | 345.28 Å 2 |
| HOMO Energy | -9.49 ± 0.55 eV |
| LUMO Energy | 2.18 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FUFYAXRWQXEVGS-UHQDVWGKSA-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 |