3-(methanesulfonylsulfanyl)-N-[2-(2-methoxyethoxy)ethyl]propanamide

• ChemBase编号: 173142
• 分子式: C9H19NO5S2
• 平均质量: 285.38086
• 单一同位素质量: 285.07046471
• SMILES: C(COCCNC(=O)CCSS(=O)(=O)C)OC
• Canonical SMILES: COCCOCCNC(=O)CCSS(=O)(=O)C
• InChI: InChI=1S/C9H19NO5S2/c1-14-6-7-15-5-4-10-9(11)3-8-16-17(2,12)13/h3-8H2,1-2H3,(H,10,11)
• InChIKey: PNNYLESRYVKAAF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(methanesulfonylsulfanyl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
• IUPAC传统名: 3-(methanesulfonylsulfanyl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
• 别名: MTS-PEG5000; Methoxypoly(ethyleneglycol)5000 Amidopropionyl Methanethiosulfonate

登记号

• PubChem SID: 164229052
• PubChem CID: 71750141

理论计算性质

• Acid pKa: 15.023241
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -1.0496904
• LogD (pH = 7.4): -1.0496902
• Log P: -1.0496902
• 摩尔折射率: 67.1026 cm^3
• 极化性: 27.344204 Å^3
• 极化表面积: 81.7 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Water
• 外观: Off-White Waxy Solid
• 熔点: 52-54°C

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: Moisture Sensitive, Desiccate and Store at -20°C.

详细说明

Toronto Research Chemicals - M266501

Methoxypoly(ethyleneglycol)5000 Amidopropionyl Methanethiosulfonate is a thiol reactive polymer that may be used for solubilization of proteins in aqueous solution.Methoxypoly(ethyleneglycol)5000 Amidopropionyl Methanethiosulfonate is a replacement for pr