ol

• ChemBase编号: 144877
• 分子式: C23H44NO4
• 平均质量: 398.59976
• 单一同位素质量: 398.32703389
• SMILES: CCCCCCCCCCCCCC1(N(C(CO1)(C)C)[O])CCCC(=O)OC
• Canonical SMILES: CCCCCCCCCCCCCC1(CCCC(=O)OC)OCC(N1[O])(C)C
• InChI: InChI=1S/C23H44NO4/c1-5-6-7-8-9-10-11-12-13-14-15-18-23(19-16-17-21(25)27-4)24(26)22(2,3)20-28-23/h5-20H2,1-4H3
• InChIKey: XKWHHWBOJRTEHX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ol
• IUPAC传统名: tyrosine(.)
• 别名: 2-(4-甲氧基-4-氧代丁基)-4,4-二甲基-2-十三烷基-3-噁唑烷基氧基，自由基; 2-(4-甲氧基-4-氧代丁基)-4,4-二甲基-2-十三烷基-3-噁唑烷基氧基; 甲基5-DOXYL-硬脂酸盐，自由基; 5-MeSL; 2-(4-Methoxy-4-oxobutyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxy, free radical; 2-(4-Methoxy-4-oxobutyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxy; Methyl 5-DOXYL-stearate, free radical

登记号

• CAS号: 38568-24-0
• MDL号: MFCD00010543
• PubChem SID: 24855315; 162239089
• PubChem CID: 170076

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.455398
• LogD (pH = 7.4): 6.455398
• Log P: 6.455398
• 摩尔折射率: 113.3265 cm^3
• 极化性: 45.53711 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: 142 °F; 61 °C

安全信息

• 德国WGK号: 3
• 保存温度: 2-8°C

产品相关信息

• Empirical Formula (Hill Notation): C23H45NO4

详细说明

Sigma Aldrich - 253618

General description
自旋标记物
包装
10 mg in glass bottle
Application
Reactant free radical spin label involved in:
• Synthesis of alkyl phospholipid analogs of perifosine and miltefosine for cytotoxicity studies1
• Studies of micellular properties via electron spin (paramagnetic) resonance2,3
• Spin-labeled stearates partitioning into the lipid domain of stratum corneum4
• Location determinations in sodium dodecyl sulfate micelles5
• Studies of local mobility and structure of micelles via its use as a probe6
• ESR (EPR) studies of metalloporphyrin intercalation into liposome membranes7