(2S,3R,4S,5S,6R)-2-(decylsulfanyl)-6-(hydroxymethyl)oxane-3,4,5-triol

• ChemBase编号: 156734
• 分子式: C16H32O5S
• 平均质量: 336.48728
• 单一同位素质量: 336.19704512
• SMILES: CCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
• Canonical SMILES: CCCCCCCCCCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
• InChI: InChI=1S/C16H32O5S/c1-2-3-4-5-6-7-8-9-10-22-16-15(20)14(19)13(18)12(11-17)21-16/h12-20H,2-11H2,1H3/t12-,13-,14+,15-,16+/m1/s1
• InChIKey: WXUWOACRYZHYQL-LJIZCISZSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3R,4S,5S,6R)-2-(decylsulfanyl)-6-(hydroxymethyl)oxane-3,4,5-triol
• IUPAC传统名: (2S,3R,4S,5S,6R)-2-(decylsulfanyl)-6-(hydroxymethyl)oxane-3,4,5-triol
• 别名: Decyl-β-D-1-thioglucopyranoside

登记号

• CAS号: 98854-16-1
• MDL号: MFCD01862990
• Beilstein号: 6059541
• PubChem SID: 24858576; 162250871
• PubChem CID: 11595224

理论计算性质

• Acid pKa: 12.4819765
• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): 2.3091116
• LogD (pH = 7.4): 2.309108
• Log P: 2.3091116
• 摩尔折射率: 88.3236 cm^3
• 极化性: 35.74584 Å^3
• 极化表面积: 90.15 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

理化性质

• 比旋光度: [α]20/D -48.0±3°, c = 0.5% in methanol
• 临界胶束浓度: 0.9 mM(20-25°C)

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: -20°C

产品相关信息

• 纯度: ≥99.0% (TLC)
• 简要说明: non-ionic
• Empirical Formula (Hill Notation): C16H32O5S

详细说明

Sigma Aldrich - 30726

Application
Detergent for the purification, extraction and solubilization of membrane-bound proteins in the native structure. It increases solubilization by dissociating aggregates and is easily removed by dialysis.