1-Deoxy-1-(7-Methyl-2,4,8-Trioxo-1,3,4,8-Tetrahydropyrimido[4,5-B]Quinolin-10(2H)-Yl)-5-O-Phosphonopentitol
Properties
| Property | Value |
|---|---|
| Formula | C17H20N3O10P |
| IUPAC Name | [(2r,3r,4r)-2,3,4-trihydroxy-5-(7-methyl-2,4,8-trioxo-1,5,6,9-tetrahydropyrimido[4,5-b]quinoline-4a,5,5a,6,7,9,9a,10a-octaid-10-yl)pentyl] dihydrogen phosphate |
| Molecular Mass | 457.329 g·mol−1 |
| Heat of Formation | 428.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.06 ± 1.08 D |
| Volume | 444.67 Å 3 |
| Surface Area | 400.56 Å 2 |
| HOMO Energy | -8.93 ± 0.55 eV |
| LUMO Energy | -2.38 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OOXOPPIFEYLFPX-MJBXVCDLSA-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 |