[[(1R,2R)-1-[(2S,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-(2-Nitrophenyl)Propoxy]-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C17H23N4O16P3+ |
| IUPAC Name | [[(1r,2r)-1-[(2s,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-(2-nitrophenyl)propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 632.303 g·mol−1 |
| Heat of Formation | -3413.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.22 ± 1.08 D |
| Volume | 610.08 Å 3 |
| Surface Area | 420.82 Å 2 |
| HOMO Energy | -9.34 ± 0.55 eV |
| LUMO Energy | -1.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BFCQEZMTYMHOGZ-MTNHUODISA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |