2,6-diamino-5-fluorohexanoic acid hydrochloride

• ChemBase编号: 97040
• 分子式: C6H14ClFN2O2
• 平均质量: 200.6389632
• 单一同位素质量: 200.0727836
• SMILES: NCC(CCC(C(=O)O)N)F.Cl
• Canonical SMILES: NCC(CCC(C(=O)O)N)F.Cl
• InChI: InChI=1S/C6H13FN2O2.ClH/c7-4(3-8)1-2-5(9)6(10)11;/h4-5H,1-3,8-9H2,(H,10,11);1H
• InChIKey: KTFUKZRKBXLIKP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-diamino-5-fluorohexanoic acid hydrochloride
• IUPAC传统名: 2,6-diamino-5-fluorohexanoic acid hydrochloride
• 别名: 5-Fluoro-lysine Hydrochloride; 5-Fluoro-lysine Monohydrochloride; 5-Fluoro-D,L-lysine Hydrochloride; 2,6-Diamino-5-fluorohexanoic acid hydrochloride; 2,6-Diamino-5-fluorocaproic acid hydrochloride; 5-Fluoro-DL-lysine hydrochloride 97%

登记号

• CAS号: 118101-18-1
• MDL号: MFCD00236735
• PubChem SID: 162083667
• PubChem CID: 44717418

理论计算性质

• Acid pKa: 2.536294
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -6.0091276
• LogD (pH = 7.4): -4.5820136
• Log P: -3.4294827
• 摩尔折射率: 37.4789 cm^3
• 极化性: 15.159868 Å^3
• 极化表面积: 89.34 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Water
• 外观: White to Off-White Solid
• 熔点: 190-213°C; 200-202°C

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: Irritant/Store at -20°C

详细说明

Apollo Scientific Ltd - PC3816L

5-Fluorolysine inhibits the growth of Escherichia coli even at very low concentrations