Name: Carboxymethyl-β-cyclodextrin
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212730020
Cas No:218269-34-2
常用名:Carboxymethyl-β-cyclodextrin
别名:羧甲基-β-环糊精
IUPAC:2-{[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,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)-44,46,48-tris(carboxymethoxy)-20,25,30-tris[(carboxymethoxy)methyl]-37,38,39,40,41,42,43,45,47,49-decahydroxy-5,10,15,35-tetrakis(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}]nonatetracontan-36-yl]oxy}acetic acid
IUPAC:2-{[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,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)-44,46,48-tris(carboxymethoxy)-20,25,30-tris[(carboxymethoxy)methyl]-37,38,39,40,41,42,43,45,47,49-decahydroxy-5,10,15,35-tetrakis(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}]nonatetracontan-36-yl]oxy}acetic acid
InChI key:CUJVBAPGYBSBHJ-YWBSARSQSA-N

分子式:C56H84O49
分子量:1541.239
氢键供体数 (HBD):21
氢键受体数 (HBA):49
LogP:-11.54808
SMILES:OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3COCC(O)=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3COCC(O)=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3COCC(O)=O)O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@H]1[C@H](OCC(O)=O)[C@H]2O)[C@H](O)[C@H]5OCC(O)=O)[C@H](O)[C@H]4OCC(O)=O)[C@H](O)[C@H]3OCC(O)=O
SMILES:OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3COCC(O)=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3COCC(O)=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3COCC(O)=O)O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@H]1[C@H](OCC(O)=O)[C@H]2O)[C@H](O)[C@H]5OCC(O)=O)[C@H](O)[C@H]4OCC(O)=O)[C@H](O)[C@H]3OCC(O)=O

Carboxymethyl-β-cyclodextrin, 99% 是一种阳离子环糊精，常用作药物载体，并且能够高效且具有选择性地结合非甾体抗炎药（NSAID）。

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