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α-Cyclodextrin (hydrate)

CAT: 0931-T35414-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0931-T35414-01Size:10 g
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CAS Number
51211-51-9
Target
Others
Related Pathways
Others
Bioactivity
α-Cyclodextrin (α-CD) is a saccharide comprised of six glucose subunits linked by α-1,4 bonds, which results in a cone-shaped molecule.1It contains a hydrophobic interior and hydrophilic exterior, which allow it to form inclusion complexes with wide variety of molecules, conferring enhanced solubility and stabilization to the molecules. α-CD has commonly been used in the separation and purification of chemicals on an industrial scale.1,2Formulations containing α-CD have been used in the pharmaceutical industry to improve the physical and chemical properties of compounds, the food industry as flavor carriers and stabilizers in processed and ultra-processed foods and certain beverages, as well as in other industrial applications.
Smiles
O.OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
Molecular Formula
C36H62O31
Molecular Weight
990.861
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

alpha-Cyclodextrin hydrate
CAS Number51211-51-9
PubChem CID60161466
IUPAC Name(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol;hydrate
Molecular FormulaC36H62O31
Molecular Weight990.9
Topological Polar Surface Area476
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count31
Rotatable Bond Count6
Heavy Atom Count67
Formal Charge0
Complexity1250
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](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O.O
InChI
InChI=1S/C36H60O30.H2O/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44;/h7-54H,1-6H2;1H2/t7-,8-,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-;/m1./s1
InChIKey
UQIQLAUJPPOBJR-HAPKRNSXSA-N
Chemical Structure
2D Structure
2D structure of alpha-Cyclodextrin hydrate
CAS: 51211-51-9
CID: 60161466
Formula: C36H62O31
MW: 990.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight990.9
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count31
Rotatable Bond Count6
Exact Mass990.32750517
Monoisotopic Mass990.32750517
Topological Polar Surface Area476 Ų
Heavy Atom Count67
Formal Charge0
Complexity1250
Isotope Atom Count0
Defined Atom Stereocenter Count30
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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