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γ-Cyclodextrin (hydrate)

CAT: 0804-HY-W040040ASize: 1 EachDry Ice: NoHazardous: No
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Description
γ-Cyclodextrin hydrate is an orally active cyclic oligosaccharide composed of eight glucose molecules, which can be formed by bacteria digesting starch. γ-Cyclodextrin hydrate can form water-soluble inclusion complexes with a variety of poorly soluble compounds and is widely used in fields such as pharmacy and food. In addition, γ-Cyclodextrin hydrate has good safety[1][2].
CAS Number
91464-90-3
UNSPSC
12352200
Hazard Statement
H302-H315-H319-H335
Target
Endogenous Metabolite
Type
Biochemical Assay Reagents
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/γ-cyclodextrin-hydrate.html
Solubility
10 mM in DMSO
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@@](O[C@@]4([H])[C@@H]5O)([H])[C@@H]3O)CO)([H])[C@@H]2O)CO)([H])[C@@H]1O)CO)([H])[C@@H]6O)[C@](O[C@](O[C@@H]7CO)([H])[C@@H]([C@H]([C@]7([H])O[C@](O[C@@H]8CO)([H])[C@@H]([C@H]([C@]8([H])O[C@](O[C@@H]9CO)([H])[C@@H]([C@H]([C@]9([H])O[C@](O[C@@H]4CO)([H])[C@@H]5O)O)O)O)O)O)O)([H])[C@@H]6O.[xH2O]
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Saokham P, et al. γ-Cyclodextrin. Int J Pharm. 2017 Jan 10;516 (1-2) :278-292.|[2]Munro IC, et al. Safety assessment of gamma-cyclodextrin. Regul Toxicol Pharmacol. 2004 Jun;39 Suppl 1:S3-13.
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

gamma-Cyclodextrin hydrate
CAS Number91464-90-3
PubChem CID71311509
IUPAC Name(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol;hydrate
Molecular FormulaC48H82O41
Molecular Weight1315.1
Topological Polar Surface Area634
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count41
Rotatable Bond Count8
Heavy Atom Count89
Formal Charge0
Complexity1720
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]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O.O
InChI
InChI=1S/C48H80O40.H2O/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58;/h9-72H,1-8H2;1H2/t9-,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-,43-,44-,45-,46-,47-,48-;/m1./s1
InChIKey
SPKUKQHKKVTYOE-SMTXKKGASA-N
Chemical Structure
2D Structure
2D structure of gamma-Cyclodextrin hydrate
CAS: 91464-90-3
CID: 71311509
Formula: C48H82O41
MW: 1315.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1315.1
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count41
Rotatable Bond Count8
Exact Mass1314.4331520
Monoisotopic Mass1314.4331520
Topological Polar Surface Area634 Ų
Heavy Atom Count89
Formal Charge0
Complexity1720
Isotope Atom Count0
Defined Atom Stereocenter Count40
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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