CAS 51166-71-3 Heptakis(2,6-di-O-methyl)-β-cyclodextrin

NAVIGATION

Heptakis(2,6-di-O-methyl)-β-cyclodextrin

PRICE INQUIRY

Catalog Number

ACM51166713-1

CAS Number

51166-71-3

Product Name

Heptakis(2,6-di-O-methyl)-β-cyclodextrin

Category

Polysaccharide

IUPAC Name

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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-36,38,40,42,44,46,48-heptol

Molecular Weight

1331.4g/mol

Molecular Formula

C56H98O35

Canonical SMILES

COCC1C2C(C(C(O1)OC3C(OC(C(C3O)OC)OC4C(OC(C(C4O)OC)OC5C(OC(C(C5O)OC)OC6C(OC(C(C6O)OC)OC7C(OC(C(C7O)OC)OC8C(OC(O2)C(C8O)OC)COC)COC)COC)COC)COC)COC)OC)O

InChI

InChI=1S/C56H98O35/c1-64-15-22-36-29(57)43(71-8)50(78-22)86-37-23(16-65-2)80-52(45(73-10)30(37)58)88-39-25(18-67-4)82-54(47(75-12)32(39)60)90-41-27(20-69-6)84-56(49(77-14)34(41)62)91-42-28(21-70-7)83-55(48(76-13)35(42)63)89-40-26(19-68-5)81-53(46(74-11)33(40)61)87-38-24(17-66-3)79-51(85-36)44(72-9)31(38)59/h22-63H,15-21H2,1-14H3/t22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m1/s1

InChI Key

QGKBSGBYSPTPKJ-UZMKXNTCSA-N

Application

Heptakis(2,6-di-O-methyl)-β-cyclodextrin is primarily used for its versatile role in advancing various scientific and pharmaceutical studies. As a white to faintly yellow crystalline powder, it serves as a reactant in physicochemical studies of inclusion complexes, enabling detailed exploration of molecular interactions. Its unique properties make it invaluable in probing diffusion and single molecule interactions with reconstituted membrane proteins, which can illuminate fundamental biological processes. Furthermore, this compound plays a significant role in the interactions with micelles, often causing micellar rupture, a process crucial for studying molecular dynamics and structural integrity. In drug development, it is a potent cell penetration enhancer, facilitating cellular transport, and leading to the physicochemical and biopharmaceutical improvement of drugs, particularly in terms of solubilization and stability. Additionally, its interactions with cholesterol provide insights into lipid management and potential therapeutic applications. Overall, Heptakis(2,6-di-O-methyl)-β-cyclodextrin is essential for enhancing the understanding and efficacy of bioactive compounds.

Complexity

1690

Covalently-Bonded Unit Count

Exact Mass

1330.588865g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

2,6-beta-O-dimethylcyclodextrin;2,6-di-O-methyl-beta-cyclodextrin;dimethyl-beta-cyclodextrin;DM-beta-CD;DM-beta-CyD;DMbeta-Cyd;heptakis(2,6-di-O-methyl)-beta-cyclodextrin;heptakis(2,6-O-dimethyl)beta-cyclodextrin;HKDBC;MEDCD cpd

Monoisotopic Mass

1330.588865g/mol

Rotatable Bond Count

UNII

5FJP73E35O

XLogP3

-7.5

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