(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(nonylsulfanyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

• ChemBase编号: 155909
• 分子式: C21H40O10S
• 平均质量: 484.6013
• 单一同位素质量: 484.23421848
• SMILES: CCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
• Canonical SMILES: CCCCCCCCCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
• InChI: InChI=1S/C21H40O10S/c1-2-3-4-5-6-7-8-9-32-21-18(28)16(26)19(13(11-23)30-21)31-20-17(27)15(25)14(24)12(10-22)29-20/h12-28H,2-11H2,1H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21+/m1/s1
• InChIKey: AFOMEWLJBOWKCP-OHQXVXRSSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(nonylsulfanyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• IUPAC传统名: (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(nonylsulfanyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• 别名: Nonyl-β-D-1-thiomaltoside

登记号

• CAS号: 148565-55-3
• MDL号: MFCD00674538
• PubChem SID: 24886480; 162250047
• PubChem CID: 11663071

理论计算性质

• Acid pKa: 12.063977
• 质子受体: 10
• 质子供体: 7
• LogD (pH = 5.5): 0.09370711
• LogD (pH = 7.4): 0.09369782
• Log P: 0.093707226
• 摩尔折射率: 116.1359 cm^3
• 极化性: 47.64231 Å^3
• 极化表面积: 169.3 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 比旋光度: [α]20/D +36±1°, c = 0.1% in methanol
• 临界胶束浓度: 3.2

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: ≥98.0% (TLC)
• 简要说明: non-ionic
• Empirical Formula (Hill Notation): C21H40O10S

详细说明

Sigma Aldrich - 74436

General description
n-Nonyl-β-D-thiomaltoside is a newly developed detergent whose lipophilic moiety is maltose. This reagent is suitable for isolating proteins inside of cell membranes. The activity of protein isolated using n-Nonyl-β-D-thiomaltoside is higher than those isolated using n-Octyl-β-D-thioglucoside or n-Heptyl-β-D-thioglucoside. As the CMC value of this detergent is 2.4 mM, it is easy to remove from protein solutions by dialysis.