Dimethyl-alpha-cyclodextrin

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-32,34,36,38,40,42-hexamethoxy-5,10,15,20,25,30-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,33,35,37,39,41-hexol

Also Known As: Dimethyl-alpha-cyclodextrin|15-methylhexadecanol|dimethyl-|A-cyclodextrin|2,6-Dimethyl-alpha-cyclodextrin|Hexakis(2-O,6-O-dimethyl)-alpha-cyclodextrin|J1.209.271G|(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-32,34,36,38,40,42-hexamethoxy-5,10,15,20,25,30-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,33,35,37,39,41-hexol|KETONE, 3-(2-METHYLPIPERIDINO)PROPYL PHENYL, HYDROCHLORIDE|2A,2B,2C,2D,2E,2F,6A,6B,6C,6D,6E,6F-Dodeca-O-methyl-|A-Cyclodextrin|2A,2B,2C,2D,2E,2F,6A,6B,6C,6D,6E,6F-Dodeca-O-methyl-alpha-cyclodextrin|2A,2B,2C,2D,2E,2F,6A,6B,6C,6D,6E,6F-Dodeca-O-methyl-I+/--cyclodextrin|alpha-Cyclodextrin, 2A,2B,2C,2D,2E,2F,6A,6B,6C,6D,6E,6F-dodeca-O-methyl-|(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-32,34,36,38,40,42-Hexamethoxy-5,10,15,20,25,30-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~]dotetracontane-31,33,35,37,39,41-hexol|1-O,4-[(2-O,6-O-Dimethyl-4-deoxy-alpha-D-glucopyranose-4,1-O-diyl)(2-O,6-O-dimethyl-4-deoxy-alpha-D-glucopyranose-4,1-O-diyl)(2-O,6-O-dimethyl-4-deoxy-alpha-D-glucopyranose-4,1-O-diyl)(2-O,6-O-dimethyl-4-deoxy-alpha-D-glucopyranose-4,1-O-diyl)(2-O,6-O-dimethyl-4-deoxy-alpha-D-glucopyranose-4,1-O-diyl)]-2-O,6-O-dimethyl-4-deoxy-alpha-D-glucopyranose

Molecular Formula	C48H84O30
Molecular Weight	1140.5048 g/mol
LogP	-6.4
Topological Polar Surface Area	343.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	30
Rotatable Bonds	18
Exact Mass	1140.5048
Monoisotopic Mass	1140.5048
Heavy Atoms	78
Complexity	1420.0

Chemical Identifiers

CAS Number	51166-72-4
SMILES	COC[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)OC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)OC)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)OC)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)OC)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)OC)COC)COC)COC)COC)COC)OC)O
InChIKey	GTXJHJOCVPTNTP-MLJFYOOPSA-N