AG000Y44

128446-36-6 | β-Cyclodextrin, methyl ethers

AG000Y44

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CAS Number	128446-36-6
Catalog Number	AG000Y44(AGN-PC-0PISVH)
Chemical Name	β-Cyclodextrin, methyl ethers
IUPAC Name	(1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31S,33R,35R,36R,37S,38R,39S,40R,41S,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-37,39,40,41,42,43,44,45,46,47,48,49-dodecamethoxy-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-36,38-diol
InChI	InChI=1S/C54H94O35/c1-64-36-28(63)30-21(14-56)76-48(36)83-29-20(13-55)77-49(37(65-2)27(29)62)85-31-22(15-57)79-51(44(72-9)38(31)66-3)87-33-24(17-59)81-53(46(74-11)40(33)68-5)89-35-26(19-61)82-54(47(75-12)42(35)70-7)88-34-25(18-60)80-52(45(73-10)41(34)69-6)86-32-23(16-58)78-50(84-30)43(71-8)39(32)67-4/h20-63H,13-19H2,1-12H3/t20-,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-,49-,50-,51-,52-,53-,54-/m1/s1
InChI Key	YZOUYRAONFXZSI-SBHWVFSVSA-N
MDL Number	MFCD00074980
Molecular Formula	C54H94O35
Molecular Weight	1303.3032
SMILES	[C@@H]12O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@@H]6[C@@H](OC)[C@H](O)[C@@H]([C@@H](CO)O6)O[C@H]6O[C@H](CO)[C@H]([C@@H](OC)[C@@H]6OC)O[C@H]6O[C@H](CO)[C@H]([C@@H](OC)[C@@H]6OC)O[C@@H](O[C@@H]1CO)[C@@H](OC)[C@@H]2OC)[C@@H](O)[C@@H]5OC)CO)[C@@H](OC)[C@@H]4OC)CO)[C@@H](OC)[C@@H]3OC)CO
Synonyms	beta-MCD, beta-methylcyclodextrin, MEBCD cpd, methyl beta-cyclodextrin, methyl-8-cyclodextrin, methyl-beta-cyclodextrin, Methyl-b-cyclodextrin, methyl beta-cyclodextrin, 128446-36-6, MFCD00074980, beta-Cyclodextrin methyl ethers, Methyl-beta-cyclodextrin, average Mw 1310, methyl betacyclodextrin, Methyl-|A-cyclodextrin, Me-|A-CD, YZOUYRAONFXZSI-SBHWVFSVSA-N, AKOS025212253, FT-0082344, W-201010, Methyl-beta-cyclodextrin (mixture of several Methylated), Methyl-beta-cyclodextrin, beta-MCD, MEBCD cpd, methyl-8-cyclodextrin, beta-methylcyclodextrin, .beta.-Cyclodextrin, methyl ethers, Methyl-beta-cyclodextrin - 100G 100g, M1356, C108732, Methyl-?-cyclodextrin (mixture of several Methylated),

Complexity	2050
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	35
Defined Bond Stereocenter Count	0
Exact Mass	1302.558g/mol
Formal Charge	0
Heavy Atom Count	89
Hydrogen Bond Acceptor Count	35
Hydrogen Bond Donor Count	9
Isotope Atom Count	0
Molecular Weight	1303.311g/mol
Monoisotopic Mass	1302.558g/mol
Rotatable Bond Count	19
Topological Polar Surface Area	422A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-8.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H312-H319-H332
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number