AG00I95Q

51166-71-3 | 2,6-Di-O-methyl-β-cyclodextrin

AG00I95Q

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CAS Number	51166-71-3
Catalog Number	AG00I95Q(AGN-PC-0091N1)
Chemical Name	2,6-Di-O-methyl-β-cyclodextrin
IUPAC Name	(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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-36,38,40,42,44,46,48-heptol
InChI	InChI=1S/C56H98O35/c1-64-15-22-36-29(57)43(71-8)50(78-22)86-37-23(16-65-2)80-52(45(73-10)30(37)58)88-39-25(18-67-4)82-54(47(75-12)32(39)60)90-41-27(20-69-6)84-56(49(77-14)34(41)62)91-42-28(21-70-7)83-55(48(76-13)35(42)63)89-40-26(19-68-5)81-53(46(74-11)33(40)61)87-38-24(17-66-3)79-51(85-36)44(72-9)31(38)59/h22-63H,15-21H2,1-14H3/t22-,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-,55-,56-/m1/s1
InChI Key	QGKBSGBYSPTPKJ-UZMKXNTCSA-N
MDL Number	MFCD00011616
Molecular Formula	C56H98O35
Molecular Weight	1331.3563
SMILES	C(OC)[C@@H]1[C@@H]2[C@H](O)[C@H]([C@H](O1)O[C@@H]1[C@@H](COC)O[C@@H]([C@@H]([C@H]1O)OC)O[C@@H]1[C@@H](COC)O[C@@H]([C@@H]([C@H]1O)OC)O[C@@H]1[C@@H](COC)O[C@@H]([C@@H]([C@H]1O)OC)O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]4[C@@H]([C@H]([C@@H](O2)O[C@@H]4COC)OC)O)O[C@@H]3COC)OC)O)O[C@@H]1COC)OC)O)OC
UNII	5FJP73E35O
Synonyms	2,6-beta-O-dimethylcyclodextrin, 2,6-di-O-methyl-beta-cyclodextrin, dimethyl-beta-cyclodextrin, DM-beta-CD, DM-beta-CyD, DMbeta-Cyd, heptakis(2,6-di-O-methyl)-beta-cyclodextrin, heptakis(2,6-O-dimethyl)beta-cyclodextrin, HKDBC, MEDCD cpd, 51166-71-3, 2,6-Di-O-methyl-beta-cyclodextrin, UNII-5FJP73E35O, 5FJP73E35O, Dimethyl-beta-cyclodextrin, MFCD00011616, heptakis(2,6-O-dimethyl)beta-cyclodextrin, Heptakis-2,6-di-O-methyl-beta-cyclodextrin, Heptakis(2,6-di-O-methyl)-beta-cyclodextrin, Dimethyl-beta-cyclodextrin, methylated beta-cyclodextrins, 96%, DM-beta-CyD, Dimethyl |A-cyclodextrin, 2,6-DMe-beta-cyclodextrin, 2,6-di-O-methyl-beta-CD, 2,6-Dimethyl-b-cyclodextrin, SCHEMBL536969, 2,6-Dimethyl-beta-cyclodextrin, CHEMBL2074619, BDBM36245, beta-Cyclodextrin, 2A,2B,2C,2D,2E,2F,2G,6A,6B,6C,6D,6E,6F,6G-tetradeca-O-methyl-, QGKBSGBYSPTPKJ-UZMKXNTCSA-N, beta-Cyclodextrin, 2(sup A),2(sup B),2(sup C),2(sup D),2(sup E),2(sup F),2(sup G),6(sup A),6(sup B),6(sup C),6(sup D),6(sup E),6(sup F),6(sup G)-tetradeca-O-methyl-, AS-10618, Heptakis(2,6-di-O-methyl)-|A-cyclodextrin, 166D713, HEPTAKIS(2 6-DI-O-METHYL)-B-CYCLODEXTRIN, J-700013, W-202928, UNII-F9TVU546K5 component QGKBSGBYSPTPKJ-UZMKXNTCSA-N, Heptakis(2,6-di-O-methyl)-beta-cyclodextrin, >=98.0% (TLC), Heptakis(2,6-Di-O-methyl)-beta-cyclodextrin; contains Trimethyl-beta-cyclodextrin, WURCS=2.0/1,7,7/[a2122h-1a_1-5_2*OC_6*OC]/1-1-1-1-1-1-1/a1-g4_a4-b1_b4-c1_c4-d1_d4-e1_e4-f1_f4-g1, Dimethyl beta-cyclodextrin, 2,6-Di-O-methyl-|A-cyclodextrin, C56H98O35, C56-H98-O35, CID10171019, 2,6-Di-O-methyl-beta-cyclodextrin, 98% - 1G 1g,

Complexity	1690
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	35
Defined Bond Stereocenter Count	0
Exact Mass	1330.589g/mol
Formal Charge	0
Heavy Atom Count	91
Hydrogen Bond Acceptor Count	35
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	1331.365g/mol
Monoisotopic Mass	1330.589g/mol
Rotatable Bond Count	21
Topological Polar Surface Area	400A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-7.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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