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beta-Cyclodextrin, Reagent

Catalog Number
ACM7585399-2
CAS Number
7585-39-9
Product Name
beta-Cyclodextrin, Reagent
Structure
Category
Macrocycles
Description
DryPowder, Liquid; Liquid;Virtually odourless white or almost white crystalline solid
IUPAC Name
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
Molecular Weight
1135g/mol
Molecular Formula
(C6H10O5)7;C42H70O35
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
InChI
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
Solubility
Sparingly soluble in water; freely soluble in hot water; slightly soluble in ethanol
Application
Beta-Cyclodextrin is a versatile product used primarily for its ability to form inclusion complexes, offering significant benefits in various industries. As a cyclic oligosaccharide derived from starch through enzymatic conversion, it features a distinct molecular structure composed of seven alpha-linked D-glucopyranose units. The hydrophobic internal cavity and hydrophilic outer surface allow it to enclose guest molecules, enhancing their solubility, stability, and bioavailability. This property makes beta-cyclodextrin particularly valuable in pharmaceuticals for improving the delivery and effectiveness of poorly soluble drugs while reducing drug interactions and irritation. Beyond pharmaceuticals, it finds applications in the food industry, agriculture, environmental engineering, and more, functioning as a chiral enantiomer separator and a means to mask unpleasant tastes or transform liquid substances into solids. Although it is less soluble and slightly nephrotoxic, limiting its use in certain formulations, beta-cyclodextrin remains a cost-effective and widely available choice for enhancing drug formulations, particularly in tablets and capsules, as well as in cosmetics and suppositories.
Complexity
1480
Covalently-Bonded Unit Count
1
EC Number
231-493-2;231-493-2
Exact Mass
1134.369764g/mol
Formal Charge
0
Heavy Atom Count
77
MeSH Entry Terms
beta-cyclodextrin;betadex;cyclo-epta-amylose;Cycloheptaamylose;cyclomaltoheptaose
Monoisotopic Mass
1134.369764g/mol
Rotatable Bond Count
7
UNII
JV039JZZ3A
XLogP3
-15
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