tetradecyl 2-(trimethylazaniumyl)ethyl phosphate

• ChemBase编号: 153245
• 分子式: C19H42NO4P
• 平均质量: 379.514841
• 单一同位素质量: 379.28514546
• SMILES: CCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
• Canonical SMILES: CCCCCCCCCCCCCCOP(=O)(OCC[N+](C)(C)C)[O-]
• InChI: InChI=1S/C19H42NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-25(21,22)24-19-17-20(2,3)4/h5-19H2,1-4H3
• InChIKey: BETUMLXGYDBOLV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tetradecyl 2-(trimethylazaniumyl)ethyl phosphate
• IUPAC传统名: tetradecyl 2-(trimethylammonio)ethyl phosphate
• 别名: Detergent Screening Solution 39/Fluka kit no 66317; O-(Tetradecylphosphoryl)choline solution; Phosphocholine tetradecyl ester; O-(Tetradecylphosphoryl)choline 1.5 mM solution

登记号

• CAS号: 77733-28-9
• EC号: 231-791-2
• MDL号: MFCD00171705
• PubChem SID: 162247384
• PubChem CID: 166493

理论计算性质

• Acid pKa: 1.8803148
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.385209
• LogD (pH = 7.4): 3.3853111
• Log P: 1.3617111
• 摩尔折射率: 116.3111 cm^3
• 极化性: 42.18369 Å^3
• 极化表面积: 58.59 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: true

分子性质

安全信息

• 个人保护装置: Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 浓度: 1.5 mM in H2O
• 线性分子式: CH3(CH2)13OP(O-)(O)OCH2CH2N+(CH3)3