3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81-heptacosaoxatrioctacontane-1,83-diol

• ChemBase编号: 140120
• 分子式: C56H114O29
• 平均质量: 1251.48696
• 单一同位素质量: 1250.74457763
• SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
• Canonical SMILES: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C56H114O29/c57-1-3-59-5-7-61-9-11-63-13-15-65-17-19-67-21-23-69-25-27-71-29-31-73-33-35-75-37-39-77-41-43-79-45-47-81-49-51-83-53-55-85-56-54-84-52-50-82-48-46-80-44-42-78-40-38-76-36-34-74-32-30-72-28-26-70-24-22-68-20-18-66-16-14-64-12-10-62-8-6-60-4-2-58/h57-58H,1-56H2
• InChIKey: CZPYBWSSNRMMCN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81-heptacosaoxatrioctacontane-1,83-diol
• IUPAC传统名: 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81-heptacosaoxatrioctacontane-1,83-diol
• 别名: 二十八乙二醇; Octacosaethylene glycol; PEG-28

登记号

• MDL号: MFCD08274599
• PubChem SID: 162234364
• PubChem CID: 14619699

理论计算性质

• Acid pKa: 14.820126
• 质子受体: 29
• 质子供体: 2
• LogD (pH = 5.5): -2.4770179
• LogD (pH = 7.4): -2.4770179
• Log P: -2.4770179
• 摩尔折射率: 312.7281 cm^3
• 极化性: 124.31934 Å^3
• 极化表面积: 289.67 Å^2
• 可自由旋转的化学键: 82
• 里宾斯基五规则: false

分子性质

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

• 纯度: ≥95% (oligomer purity)
• 线性分子式: HO(CH2CH2O)28H

详细说明

Sigma Aldrich - 672351

包装
500 mg in poly bottle