基本情報
- CAS
143716-62-5- 標準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- 分子式
- C12H13FN2O9
- 平均分子量
- 348.24 g/mol
- 単同位体質量
- 348.06050816
概要
used to inactivate lac Z beta-galactosidase during catalysis to trap the covalent intermediate
名称と識別子
- 優先名称
- 2',4'-Dinitrophenyl 2-deoxy-2-fluorogalactopyranoside
- IUPAC
- (2R,3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol
- 英語名
- 2',4'-dinitrophenyl 2-deoxy-2-fluorogalactopyranoside
- 分子式
- C12H13FN2O9
- 分子量
- 348.24
名称と別名
Dinitroph-dfgp143716-62-52',4'-Dinitrophenyl 2-deoxy-2-fluorogalactopyranosideDTXSID10162527RefChem:80132DTXCID2085018(2R,3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol2,4-Dinitrophenyl 2-deoxy-2-fluoro-beta-d-galactoside2',4'-Dinitrophenyl 2-deoxy-2-fluoro-beta-D-galactopyranosidebeta-D-Galactopyranoside, 2,4-dinitrophenyl 2-deoxy-2-fluoro-2,4-Dinitrophenyl 2-Deoxy-2-fluoro-?-D-galactopyranoside;2,4-Dinitrophenyl 2-Deoxy-2-fluoro-|A-D-galactoside
名称をさらに表示
2,4-Dinitrophenyl 2-Deoxy-2-fluoro-β-D-galactoside2,4-Dinitrophenyl 2-Deoxy-2-fluoro-β-D-Galactopyranoside, 2,4-dinitrophenyl 2-deoxy-2-fluoro-2,4-Dinitrophenyl 2-Deoxy-2-fluoro-β-D-galactoside, CAS 143716-62-5
PD194643DB-2468662,4-Dinitrophenyl 2-Deoxy-2-fluoro-b-D-galactoside2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-galactopyranoside2',4'-dinitrophenyl 2-deoxy--2-fluoro-beta-D-galactopyranoside
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 171 Ų
- 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
物理化学的性質
- 融点
- 168 · 168-170°C
- 沸点
- 615.736 · 615.736±55.00 °C(Press: 760.00 Torr)(predicted)
- 比重(密度)
- 1.692 · 1.692±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 貯蔵温度
- Amber Vial, Refrigerator
- 溶解性
- メタノール（わずかに）
- 外見
- 個体
- 酸解離定数(Pka)
- 12.19 · 12.190±0.70(predicted)
- 色
- オフホワイトからペールイエロー
化学的性質
化学的特性Off-White to Pale Yellow Solid
化学と産業
応用分野
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.
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