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Product No: AA9791

Beta-Cyclodextrin, 99%

Name: Beta-Cyclodextrin
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

7585-39-9

Molecular Weight

1134.98

Formula

C42H70O35

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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
canonical smiles	C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)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
inchi key	WHGYBXFWUBPSRW-FOUAGVGXSA-N
molecular formula	(C6H10O5)7
synonyms	beta-CYCLODEXTRIN Betadex Cycloheptaamylose Cyclomaltoheptaose Cycloheptaglucan
Compound Description	Beta-cyclodextrin is a cyclodextrin composed of seven alpha- linked D-glucopyranose units. beta-CYCLODEXTRIN is a natural product found in Romanoa with data available.

Computed Properties

Molecular Weight:	1135.0 g/mol
XLogP3:	-15
Hydrogen Bond Donor Count:	21
Hydrogen Bond Acceptor Count:	35
Rotatable Bond Count:	7
Exact Mass:	1134.3697639 g/mol
Monoisotopic Mass:	1134.3697639 g/mol
Topological Polar Surface Area:	554 Å²
Heavy Atom Count:	77
Formal Charge:	0
Complexity:	1480
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	35
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Betadex

Maltotriose

Mannan

alpha-CYCLODEXTRIN

Laminaran

(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

beta-Glucan

Dextrin

Cellulase

gamma-Cyclodextrin

Globotriose

Cyclohexaamylose

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

Amylotriose

Maltotetraose

hazard signal
hazard classes and categories	Not Classified
hazard statements	Not Classified Reported as not meeting GHS hazard criteria by 180 of 181 companies (only ~ 0.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
hazards summary	Composed of 7 glucose units joined together. Acceptable daily intake (ADI) of 0-5 mg/kg. Causes zonal hepatitis and acute tubular necrosis in 52-week constant oral studies of rats. Causes diffuse and zonal hepatitis in 7-week constant oral studies of rats. Causes mild skin and eye irritation in rabbits. Not a skin sensitizer in guinea pigs. See alpha-Cyclodextrin.

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Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

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
canonical smiles	C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)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
inchi key	WHGYBXFWUBPSRW-FOUAGVGXSA-N
molecular formula	(C6H10O5)7
synonyms	beta-CYCLODEXTRIN Betadex Cycloheptaamylose Cyclomaltoheptaose Cycloheptaglucan
Compound Description	Beta-cyclodextrin is a cyclodextrin composed of seven alpha- linked D-glucopyranose units. beta-CYCLODEXTRIN is a natural product found in Romanoa with data available.

Computed Properties

Molecular Weight:	1135.0 g/mol
XLogP3:	-15
Hydrogen Bond Donor Count:	21
Hydrogen Bond Acceptor Count:	35
Rotatable Bond Count:	7
Exact Mass:	1134.3697639 g/mol
Monoisotopic Mass:	1134.3697639 g/mol
Topological Polar Surface Area:	554 Å²
Heavy Atom Count:	77
Formal Charge:	0
Complexity:	1480
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	35
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Betadex

Maltotriose

Mannan

alpha-CYCLODEXTRIN

Laminaran

beta-Glucan

Dextrin

Cellulase

gamma-Cyclodextrin

Globotriose

Cyclohexaamylose

Amylotriose

Maltotetraose

hazard signal
hazard classes and categories	Not Classified
hazard statements	Not Classified Reported as not meeting GHS hazard criteria by 180 of 181 companies (only ~ 0.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
hazards summary	Composed of 7 glucose units joined together. Acceptable daily intake (ADI) of 0-5 mg/kg. Causes zonal hepatitis and acute tubular necrosis in 52-week constant oral studies of rats. Causes diffuse and zonal hepatitis in 7-week constant oral studies of rats. Causes mild skin and eye irritation in rabbits. Not a skin sensitizer in guinea pigs. See alpha-Cyclodextrin.

Product No: AA9791

Beta-Cyclodextrin, 99%

Product No: AA9791

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: AA9791

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?