beta-Cyclodextrin (hydrate)

beta-Cyclodextrin (beta-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 beta-CD molecule, thus isolating the aromatic portion of the molecule from the water and thereby increasing its aqueous solubility.Formal Name: beta-cyclodextrin, hydrate. CAS Number: 68168-23-0. Synonyms: beta-CD, NSC 269471, NSC 314334, Schardinger beta-Dextrin. Molecular Formula: C42H70O35 . XH2O. Formula Weight: 1135.0. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 2.5 mg/ml, DMSO: 2.5 mg/ml, DMSO:PBS (pH 7.2) (1:30): 0.03 mg/ml. SMILES: OC[C@@H](O[C@@](O[C@]([C@@H]1O)([H])[C@H](O[C@@](O[C@]([C@@H]2O)([H])[C@H](O[C@@](O[C@]([C@@H]3O)([H])[C@H](O[C@@]4([H])[C@@H]3O)CO)([H])[C@@H]2O)CO)([H])[C@@H]1O)CO)([H])[C@@H]5O)[C@](O[C@](O[C@H](CO)[C@](O[C@](O[C@H](CO)[C@](O[C@](O[C@H](CO)[C@](O4)([H])[C@@H]6O)([H])[C@@H]6O)([H])[C@@H]7O)([H])[C@@H]7O)([H])[C@@H]8O)([H])[C@@H]8O)([H])[C@@H]5O. InChi Code: InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,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-,37-,38-,39-,40-,41-,42-/m1/s1. InChi Key: WHGYBXFWUBPSRW-FOUAGVGXSA-N.