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DM-β-CD

CAT: 0804-HY-137234-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-137234-01Size:5 g
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Description
DM-β-CD (2,6-Di-O-methyl-β-cyclodextrin) is a cyclic molecule consisting of seven glucose units modified with two methyl groups at the 2- and 6-positions. It is usually used as a solubilizer and carrier for poorly soluble drugs in pharmaceutical preparations. Furthermore, it has applications in analytical chemistry, food science, and environmental remediation due to its ability to form clathrates with various guest molecules, such as aromatic compounds, pesticides, and heavy metals.
CAS Number
51166-71-3
Product Name Alternative
2,6-Di-O-methyl-β-cyclodextrin
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dm-β-cd.html
Purity
98.0
Solubility
DMSO : 200 mg/mL (ultrasonic) |H2O : 125 mg/mL (ultrasonic)
Smiles
COC[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]([C@H]3OC)O)([H])[C@H]4COC)([H])[C@@H]2OC)COC)([H])[C@@H]1OC)COC)([H])[C@@H]5OC)[C@](O[C@](O[C@@H]6COC)([H])[C@@H]([C@H]([C@]6([H])O[C@](O[C@@H]7COC)([H])[C@@H]([C@H]([C@]7([H])O[C@](O[C@@H]8COC)([H])[C@@H]([C@H]([C@]8([H])O[C@@]3([H])O4)O)OC)O)OC)O)OC)([H])[C@@H]5O
Molecular Formula
C56H98O35
Molecular Weight
1331.36
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Di-O-methyl-beta-cyclodextrin

stimulant for Bordetella pertussis Phase I

CAS Number51166-71-3
PubChem CID10171019
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 FormulaC56H98O35
Molecular Weight1331.4
XLogP-7.5
Topological Polar Surface Area400
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count35
Rotatable Bond Count21
Heavy Atom Count91
Formal Charge0
Complexity1690
SMILES
COC[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)OC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)OC)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)OC)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)OC)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)OC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)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
InChIKey
QGKBSGBYSPTPKJ-UZMKXNTCSA-N
Chemical Structure
2D Structure
2D structure of Di-O-methyl-beta-cyclodextrin
CAS: 51166-71-3
CID: 10171019
Formula: C56H98O35
MW: 1331.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1331.4
XLogP3-7.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count35
Rotatable Bond Count21
Exact Mass1330.5888648
Monoisotopic Mass1330.5888648
Topological Polar Surface Area400 Ų
Heavy Atom Count91
Formal Charge0
Complexity1690
Isotope Atom Count0
Defined Atom Stereocenter Count35
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes