Mono-2-O-(P-Toluenesulfonyl)-alpha-Cyclodextrin
[CAS# 93184-10-2]

Identification

• Classification: Chemical reagent >> Organic reagent >> Cyclodextrin
• Name: Mono-2-O-(P-Toluenesulfonyl)-alpha-Cyclodextrin
• Synonyms: Mono-2-O-(p-toluenesulfonyl)-α-cyclodextrin
• Molecular Formula: C₄₅H₇₄O₃₂S
• Molecular Weight: 1159.11
• CAS Registry Number: 93184-10-2
• SMILES: Cc1ccc(cc1)S(=O)(=O)O[C@@H]2[C@H]([C@H]3[C@H](O[C@@H]2O[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]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O3)[C@@H]([C@H]8O)O)C)CO)CO)CO)C)CO)O.CO.CO
• InChI: 1S/C43H66O30S.2CH4O/c1-12-4-6-15(7-5-12)74(59,60)73-37-30(58)36-19(11-47)66-43(37)68-32-14(3)62-38(26(54)21(32)49)69-33-16(8-44)64-41(28(56)23(33)51)71-35-18(10-46)65-42(29(57)24(35)52)70-34-17(9-45)63-40(27(55)22(34)50)67-31-13(2)61-39(72-36)25(53)20(31)48;2*1-2/h4-7,13-14,16-58H,8-11H2,1-3H3;2*2H,1H3/t13-,14-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-;;/m1../s1
• InChIKey: WIMDFCYQPLXCOO-BXNCUBADSA-N