(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol

• ChemBase编号: 134125
• 分子式: C36H60O30
• 平均质量: 972.8436
• 单一同位素质量: 972.31694052
• SMILES: C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@H](O2)[C@@H]([C@H]1O)O)CO)CO)CO)CO)CO)O)O)O
• Canonical SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@H]1[C@@H]([C@H]2O)O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@@H]([C@H]3O)O)CO
• InChI: InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1
• InChIKey: HFHDHCJBZVLPGP-RWMJIURBSA-N

名称和登记号

名称

• IUPAC标准名: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^3,^6.2^8,^1^1.2^1^3,^1^6.2^1^8,^2^1.2^2^3,^2^6]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
• IUPAC传统名: α-cyclodextrin
• 别名: α-环状糊精; 环己烷直链淀粉; 环麦芽六糖; α-环糊精; alpha-Cyclodextrin; α-Cyclodextrin; α-Schardinger dextrin; Cyclohexaamylose; Cyclomaltohexaose

登记号

• CAS号: 10016-20-3
• EC号: 233-007-4
• MDL号: MFCD00078207
• Beilstein号: 79627
• PubChem SID: 24892712; 24857261; 24892708; 162228402
• PubChem CID: 444913

理论计算性质

• Acid pKa: 11.559623
• 质子受体: 30
• 质子供体: 18
• LogD (pH = 5.5): -10.625014
• LogD (pH = 7.4): -10.625044
• Log P: -10.625014
• 摩尔折射率: 194.4798 cm^3
• 极化性: 82.88673 Å^3
• 极化表面积: 474.9 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: H2O: soluble10 mg/mL; H2O: soluble50 mg/mL
• 外观: powder
• 熔点: >278 °C (dec.)(lit.)
• 比旋光度: [α]20/D +136±3°, c = 10% in H2O

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: ≥98%; ≥98.0% (HPLC)
• 级别: purum
• 适用性: suitable for cell culture
• 干燥失重: ≤10% loss on drying
• 产品质量级别: PREMIUM
• Empirical Formula (Hill Notation): C36H60O30

详细说明

Sigma Aldrich - C4642

包装
1, 5, 25 g in poly bottle

Sigma Aldrich - C4680

Application
Useful for the solubilization of nonpolar macromolecules such as fatty acids, lipids, and cholesterol for use in cell culture applications.

Sigma Aldrich - 28705

Other Notes
环糊精为低分子量有机分子，可与不同化合物（客体）形成水溶性配合物1,2,3；酶模型4