3-(1-methoxy-1-oxo-1λ6-disulfen-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide

• ChemBase编号: 173141
• 分子式: C9H19NO5S2
• 平均质量: 285.38086
• 单一同位素质量: 285.07046471
• SMILES: C(COCCNC(=O)CCS(=S)(=O)OC)OC
• Canonical SMILES: COCCOCCNC(=O)CCS(=S)(=O)OC
• InChI: InChI=1S/C9H19NO5S2/c1-13-6-7-15-5-4-10-9(11)3-8-17(12,16)14-2/h3-8H2,1-2H3,(H,10,11)
• InChIKey: YRBWBQYYBXXOJW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(1-methoxy-1-oxo-1λ^6-disulfen-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
• IUPAC传统名: 3-(1-methoxy-1-oxo-1λ^6-disulfen-1-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
• 别名: MTS-PEG20; Methoxypoly(ethyleneglycol)20 Amidopropionyl Methanethiosulfonate

登记号

• PubChem SID: 164229051
• PubChem CID: 29983143

理论计算性质

• Acid pKa: 15.36647
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.5025756
• LogD (pH = 7.4): -0.5025756
• Log P: -0.5025756
• 摩尔折射率: 68.7184 cm^3
• 极化性: 28.265528 Å^3
• 极化表面积: 73.86 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M266475

A thiol reactive polymer that may be used for solubilization of proteins in aqueous solution.