(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 ID: 134125
• Molecular Formular: C36H60O30
• Molecular Mass: 972.8436
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: (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 Traditional name: α-cyclodextrin
• Synonyms: alpha-Cyclodextrin; α-Cyclodextrin; α-Schardinger dextrin; Cyclohexaamylose; Cyclomaltohexaose; α-环状糊精; 环己烷直链淀粉; 环麦芽六糖; α-环糊精

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 11.559623
• H Acceptors: 30
• H Donor: 18
• LogD (pH = 5.5): -10.625014
• LogD (pH = 7.4): -10.625044
• Log P: -10.625014
• Molar Refractivity: 194.4798 cm^3
• Polarizability: 82.88673 Å^3
• Polar Surface Area: 474.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: H2O: soluble10 mg/mL; H2O: soluble50 mg/mL
• Apperance: powder
• Melting Point: >278 °C (dec.)(lit.)
• Optical Rotation: [α]20/D +136±3°, c = 10% in H2O

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98%; ≥98.0% (HPLC)
• Grade: purum
• Suitability: suitable for cell culture
• Loss on Drying: ≤10% loss on drying
• Quality Level: PREMIUM
• Empirical Formula (Hill Notation): C36H60O30

DETAILS

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
Cyclodextrins are low molecular weight organic molecules which form watersoluble complexes with various compounds (guests)1,2,3; Enzyme model4