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Beta-Cyclodextrin

CAT: 0572-TRC-C987830-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C987830-25GSize:25 g
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CAS Number
7585-39-9
Synonyms
Betadex; Cycloheptakis-(1→4)-(α-d-glucopyranosyl) (cyclomaltoheptaose); Cycloheptakis-(1→4)-(α-d-glucopyranosyl) β-cyclodextrin
Hazard Statement
Harmful if inhaled
Purity
>95% (HPLC)
Smiles
OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CO)O[C@H]1[C@H](O)[C@H]2O
Molecular Formula
C42 H70 O35
Molecular Weight
1134.98
InChI
InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,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-,37-,38-,39-,40-,41-,42-/m1/s1
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

beta-Cyclodextrin

Beta-cyclodextrin is a cyclodextrin composed of seven alpha-(14) linked D-glucopyranose units.

CAS Number7585-39-9
PubChem CID444041
IUPAC Name(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-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-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
Molecular FormulaC42H70O35
Molecular Weight1135.0
XLogP-15
Topological Polar Surface Area554
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count35
Rotatable Bond Count7
Heavy Atom Count77
Formal Charge0
Complexity1480
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](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O
InChI
InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,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-,37-,38-,39-,40-,41-,42-/m1/s1
InChIKey
WHGYBXFWUBPSRW-FOUAGVGXSA-N
Chemical Structure
2D Structure
2D structure of beta-Cyclodextrin
CAS: 7585-39-9
CID: 444041
Formula: C42H70O35
MW: 1135.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1135.0
XLogP3-15
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count35
Rotatable Bond Count7
Exact Mass1134.3697639
Monoisotopic Mass1134.3697639
Topological Polar Surface Area554 Ų
Heavy Atom Count77
Formal Charge0
Complexity1480
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

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Alternative Products

CatalogName
MBS3609075-01Beta-Cyclodextrin
C7070-01(2-HYDROXYPROPYL) -BETA-CYCLODEXTRIN, Hydroxypropyl-Beta-Cyclodextrin
T27563Hydroxypropyl-beta-cyclodextrin
40181063-3Methyl β -Cyclodextrin
MBS3607916-01Methyl-beta-cyclodextrin
12650846-5gTriacetyl-beta-cyclodextrin
OR1012624-01Carboxymethyl-beta-Cyclodextrin
AR-N08100-01Nimesulide beta cyclodextrin
P5640-01Piroxicam beta cyclodextrin

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