68779-95-3 , 6-Amino-6-deoxy-a-cyclodextrin hydrochloride ,
Cas:68779-95-3
C36H66N6O24·6HCl / 1185.70
Hexakis-(6-amino-6-deoxy)-a-cyclodextrin hexahydrochloride
Name | 6-Amino-6-deoxy-a-cyclodextrin hydrochloride |
Cas | 68779-95-3 |
MF | C36H72Cl6N6O24 |
MW | 1185.7g/mol |
IUPAC Name | (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(aminomethyl)-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-31,32,33,34,35,36,37,38,39,40,41,42-dodecol;hexahydrochloride |
Isomeric SMILES | C([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)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CN)CN)CN)CN)CN)O)O)N.Cl.Cl.Cl.Cl.Cl.Cl |
InChIKey | FEPOQLZBYVXESP-WWKXUIADSA-N |
InChI | InChI=1S/C36H66N6O24.6ClH/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44;;;;;;/h7-36,43-54H,1-6,37-42H2;6*1H/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-;;;;;;/m1....../s1 |
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