5-Deoxy-5-(7,8-Dimethyl-2,4-Dioxo-3,4-Dihydropyrimido[4,5-B]Quinolin-10(2H)-Yl)-1-O-Phosphonato-D-Xylitol
Properties
| Property | Value |
|---|---|
| Formula | C18H22N3O9P |
| IUPAC Name | [(2s,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-pyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate |
| Molecular Mass | 455.356 g·mol−1 |
| Heat of Formation | 463.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.20 ± 1.08 D |
| Volume | 415.94 Å 3 |
| Surface Area | 365.29 Å 2 |
| HOMO Energy | -10.09 ± 0.55 eV |
| LUMO Energy | -3.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LAWFKZVKVIYTAR-ZNMIVQPWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O N |