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Gamma-cyclodextrin

CAT: 0127-BIM1016-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0127-BIM1016-01Size:50 g
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CAS Number
17465-86-0
Synonyms
GCD
MDL Number
MFCD00009595

Chemical Information

Gamma-cyclodextrin

Gamma-cyclodextrin is a cycloamylose composed of eight alpha-(14) linked D-glucopyranose units.

CAS Number17465-86-0
PubChem CID5287407
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
Molecular FormulaC48H80O40
Molecular Weight1297.1
XLogP-17.2
Topological Polar Surface Area633
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count40
Rotatable Bond Count8
Heavy Atom Count88
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
InChI
InChI=1S/C48H80O40/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/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
GDSRMADSINPKSL-HSEONFRVSA-N
Chemical Structure
2D Structure
2D structure of Gamma-cyclodextrin
CAS: 17465-86-0
CID: 5287407
Formula: C48H80O40
MW: 1297.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1297.1
XLogP3-17.2
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count40
Rotatable Bond Count8
Exact Mass1296.4225873
Monoisotopic Mass1296.4225873
Topological Polar Surface Area633 Ų
Heavy Atom Count88
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 Count1
Compound Is CanonicalizedYes

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