ol

• ChemBase编号: 145308
• 分子式: C22H42NO4
• 平均质量: 384.57318
• 单一同位素质量: 384.31138383
• SMILES: CCCCCCCCCCCCCC1(N(C(CO1)(C)C)[O])CCCC(=O)O
• Canonical SMILES: CCCCCCCCCCCCCC1(CCCC(=O)O)OCC(N1[O])(C)C
• InChI: InChI=1S/C22H42NO4/c1-4-5-6-7-8-9-10-11-12-13-14-17-22(18-15-16-20(24)25)23(26)21(2,3)19-27-22/h4-19H2,1-3H3,(H,24,25)
• InChIKey: PYDZKXQLRMNQFK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ol
• IUPAC传统名: tyrosine(.)
• 别名: 2-(3-羧丙基)-4,4-二甲基-2-十三烷基-3-噁唑烷基氧自由基; 5-DOXYL-硬脂酸，自由基; 5-Doxylstearate; 5-SASL; 2-(3-Carboxypropyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxy, free radical; 5-DOXYL-stearic acid, free radical

登记号

• CAS号: 29545-48-0
• MDL号: MFCD00010544
• PubChem SID: 162239515; 24855317
• PubChem CID: 2724323

理论计算性质

• Acid pKa: 4.5312996
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 5.297663
• LogD (pH = 7.4): 3.526003
• Log P: 6.309504
• 摩尔折射率: 108.5574 cm^3
• 极化性: 43.442657 Å^3
• 极化表面积: 49.77 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 51-53 °C(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• Empirical Formula (Hill Notation): C22H42NO4

详细说明

Sigma Aldrich - 253634

包装
10, 25 mg in glass bottle
Application
Lipid spin label used for many types of electron paramagnetic resonance studies including:
• Studies to elucidate the interactions of molecules with the membrane surface1
• Kinetics of lipid transfer between lipid bilayers2
• Behavior of molecules within a lipid bilayer3
• Probing the fluid dynamics of the plasma membrane4