Name: Mal-β-CD
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314722
Cas No:104723-60-6
常用名:Mal-β-CD
别名:6-O-alpha-D-Maltosyl-beta-cyclodextrin
IUPAC:(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-({[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}.2^{28,31}]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
IUPAC:(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-({[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}.2^{28,31}]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
InChI key:QFSFPJHBIGWPMD-FXWIDUTLSA-N

分子式:C54H90O45
分子量:1459.269
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(O[C@@H]2[C@@H](CO)O[C@H](OC[C@H]3O[C@]4([H])O[C@]5([H])[C@@H](CO)O[C@]([H])(O[C@]6([H])[C@@H](CO)O[C@]([H])(O[C@]7([H])[C@@H](CO)O[C@]([H])(O[C@]8([H])[C@@H](CO)O[C@]([H])(O[C@]9([H])[C@@H](CO)O[C@]([H])(O[C@]%10([H])[C@@H](CO)O[C@]([H])(O[C@@]3([H])[C@H](O)[C@H]4O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILES:[H][C@]1(O[C@@H]2[C@@H](CO)O[C@H](OC[C@H]3O[C@]4([H])O[C@]5([H])[C@@H](CO)O[C@]([H])(O[C@]6([H])[C@@H](CO)O[C@]([H])(O[C@]7([H])[C@@H](CO)O[C@]([H])(O[C@]8([H])[C@@H](CO)O[C@]([H])(O[C@]9([H])[C@@H](CO)O[C@]([H])(O[C@]%10([H])[C@@H](CO)O[C@]([H])(O[C@@]3([H])[C@H](O)[C@H]4O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Mal-β-CD is a cellular cholesterol modifier. It can form a soluble inclusion complex with cholesterol.

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