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

• ChemBase编号: 156017
• 分子式: C20H36O11
• 平均质量: 452.49324
• 单一同位素质量: 452.22576197
• SMILES: C1CCC(CC1)CCO[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: OC[C@H]1O[C@@H](OCCC2CCCCC2)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
• InChI: InChI=1S/C20H36O11/c21-8-11-13(23)14(24)16(26)20(29-11)31-18-12(9-22)30-19(17(27)15(18)25)28-7-6-10-4-2-1-3-5-10/h10-27H,1-9H2/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1
• InChIKey: RHXPDNGQJSXOMW-OIIXUNCGSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-(2-cyclohexylethoxy)-4,5-dihydroxy-2-(hydroxymethyl)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,6R)-6-(2-cyclohexylethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• 别名: CYMAL®-2; 2-Cyclohexylethyl β-D-maltoside

登记号

• CAS号: 260804-65-7
• MDL号: MFCD01862984
• PubChem SID: 162250155; 24857690
• PubChem CID: 9547906

理论计算性质

• Acid pKa: 11.939976
• 质子受体: 11
• 质子供体: 7
• LogD (pH = 5.5): -1.5793504
• LogD (pH = 7.4): -1.5793626
• Log P: -1.5793501
• 摩尔折射率: 103.5109 cm^3
• 极化性: 42.79667 Å^3
• 极化表面积: 178.53 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 比旋光度: [α]20/D +52.5±3°, c = 0.5% in methanol
• 临界胶束浓度: 120; 120 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

产品相关信息

• 纯度: ≥99.0% (TLC)
• 简要说明: non-ionic
• Empirical Formula (Hill Notation): C20H36O11

详细说明

Sigma Aldrich - 29395

Application
Detergent for the purification and crystallization of membrane-bound proteins in native structure. It has a higher CMC (critical micelle concentration) and is more hydrophobic than the corresponding linear chain analog (C20).1
Legal Information
No license is conveyed with the purchase of this product.
法律信息
CYMAL is a registered trademark of Affymetrix, Inc.