化工社化工社 化学情報印刷レポート · 研究参考用
2',4'-Dinitrophenyl 2-deoxy-2-fluorogalactopyranoside
2,4-Dinitrophenyl 2-Deoxy-2-fluoro-β-D-galactoside · 2,4-Dinitrophenyl 2-Deoxy-2-fluoro- · 2',4'-dinitrophenyl 2-deoxy-2-fluorogalactopyranoside · β-D-Galactopyranoside, 2,4-dinitrophenyl 2-deoxy-2-fluoro- · 2,4-Dinitrophenyl 2-Deoxy-2-fluoro-β-D-galactoside, CAS 143716-62-5
識別子と物理属性
| CAS No. | 143716-62-5 |
|---|---|
| 分子式 | C12H13FN2O9 |
| 平均分子量 | 348.24 g/mol |
| 単同位体質量 | 348.06050816 g/mol |
| SMILES | O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2F)c([N+](=O)[O-])c1 |
| InChIKey | UFSBFVZQJZMIOU-RMPHRYRLSA-N |
| PubChem CID | 3083384 |
| DTXSID | DTXSID10162527 |
化学・物理的性質
| XLogP | 0.3 |
|---|---|
| 極性表面積 | 171 |
| 水素結合供与体数 | 3 |
| 水素結合受容体数 | 10 |
| 回転可能結合数 | 3 |
| 重原子数 | 24 |
| 形式電荷 | 0 |
| 複雑度 | 470 |
| 融点 | 168-170°C |
| 沸点 | 615.736±55.00 °C(Press: 760.00 Torr)(predicted) |
| 密度 | 1.692±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| 貯蔵条件 | Amber Vial, Refrigerator |
| 溶解度 | メタノール（わずかに） |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | 12.190±0.70(predicted) |
| 色 | オフホワイトからペールイエロー |
化学的特性
Off-White to Pale Yellow Solid
用途
使用
2',4'-Dinitrophenyl 2-deoxy-2-fluorogalactopyranoside is fluorinated and deoxygenated glycosides as mechanistic probes of Escherichia coli (lacZ) β-galactosidase. By use of the slow substrate 2,4-dinitrophenyl-2-deoxy-2-fluoro-β-D-galactopyranoside, a glycosyl enzyme intermediate has been trapped on the enzyme.