beta-Cyclodextrin hydrate

Base Information

• Chemical Name: beta-Cyclodextrin hydrate
• CAS No.: 68168-23-0
• Molecular Formula: C42H70O35
• Molecular Weight: 1134.98
• Hs Code.: 35051000
• European Community (EC) Number: 805-729-5
• Mol file: 68168-23-0.mol

Synonyms:beta-Cyclodextrin hydrate;68168-23-0;.beta.-Cyclodextrin, hydrate;MFCD00150811;beta-Cyclodextrinhydrate;SCHEMBL692932;|A-cyclodextrin hydrate(1:x);beta-Cyclodextrin hydrate, 99%;JNSAKCOAFBFODP-ZQOBQRRWSA-N;AKOS025310932;AS-81522;D78364;beta-Cyclodextrin hydrate, puriss., >=99.0% (HPLC)

Chemical Property of beta-Cyclodextrin hydrate

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 298-300 °C
• Boiling Point: 1541.179 °C at 760 mmHg
• Flash Point: 885.873 °C
• PSA: 554.05000
• Density: 1.624 g/cm³
• LogP: -15.23060
• Storage Temp.: Refrigerator
• Solubility.: Water (Slightly)
• Water Solubility.: 18.5 g/L (25 ºC)
• Hydrogen Bond Donor Count: 22
• Hydrogen Bond Acceptor Count: 36
• Rotatable Bond Count: 7
• Exact Mass: 1152.3803286
• Heavy Atom Count: 78
• Complexity: 1480

Purity/Quality:

99% ^*data from raw suppliers

Cyclomaltoheptaose hydrate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O.O
• Isomeric SMILES: C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O.O
• Description: β-Cyclodextrin (β-CD) is a cyclic oligosaccharide that contains seven D-(+)-glucopyranose units and has been used to improve the aqueous solubility of various compounds, especially those containing a phenyl group. The circular arrangement of its glucose units produces a torus-shaped ring configuration in which the CH2 groups and ether linkages of the molecule face the hollow interior, resulting in a nonpolar, hydrophobic cavity and a polar, hydrophilic exterior. When combined in solution with other compounds, the nonpolar aromatic portions of that compound interact with the nonpolar interior of the β-CD molecule, thus isolating the aromatic portion of the molecule from the water and thereby increasing its aqueous solubility.
• Uses: beta-Cyclodextrin hydrate forms clathrates. Produces a water-soluble complex with dansyl chloride for the fluorescent labeling of proteins. It is used in pharmaceutical research, as pharmaceutical intermediates and also as chemical reagents.