2-{[3-Acetamido-2-{[{[{[5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}-5-Hydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-4-Yl]Oxy}Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H33N3O19P2 |
| IUPAC Name | (2s)-2-[(2s,3s,4r,5s,6r)-3-acetamido-2-[[[(2s,3r,4s,5s)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxybutanoic acid |
| Molecular Mass | 693.443 g·mol−1 |
| Heat of Formation | -4082.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.26 ± 1.08 D |
| Volume | 714.36 Å 3 |
| Surface Area | 570.48 Å 2 |
| HOMO Energy | -9.45 ± 0.55 eV |
| LUMO Energy | -1.70 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DFCARJAECCPPGB-LHYXAPFASA-P |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |