Mono-6-O-(P-Toluenesulfonyl)-gamma-Cyclodextrin
[CAS# 97227-33-3]

Identification

• Classification: Chemical reagent >> Organic reagent >> Cyclodextrin
• Name: Mono-6-O-(P-Toluenesulfonyl)-gamma-Cyclodextrin
• Synonyms: Mono-6-O-(p-toluenesulfonyl)-γ-cyclodextrin
• Molecular Formula: C₅₅H₈₆O₄₂S
• Molecular Weight: 1451.31
• CAS Registry Number: 97227-33-3
• SMILES: Cc1ccc(cc1)S(=O)(=O)OCC2[C@@H]3C([C@@H]([C@H](O2)O[C@@H]4C(O[C@@H]([C@H](C4O)O)O[C@@H]5C(O[C@@H]([C@H](C5O)O)O[C@@H]6C(O[C@@H]([C@H](C6O)O)O[C@@H]7C(O[C@@H]([C@H](C7O)O)O[C@@H]8C(O[C@@H]([C@H](C8O)O)O[C@@H]9C(O[C@@H]([C@H](C9O)O)O[C@@H]1C(O[C@H](O3)[C@H](C1O)O)CO)CO)CO)CO)CO)CO)CO)O)O
• InChI: 1S/C55H86O42S/c1-14-2-4-15(5-3-14)98(79,80)81-13-23-47-31(70)39(78)55(89-23)96-46-22(12-62)87-53(37(76)29(46)68)94-44-20(10-60)85-51(35(74)27(44)66)92-42-18(8-58)83-49(33(72)25(42)64)90-40-16(6-56)82-48(32(71)24(40)63)91-41-17(7-57)84-50(34(73)26(41)65)93-43-19(9-59)86-52(36(75)28(43)67)95-45-21(11-61)88-54(97-47)38(77)30(45)69/h2-5,16-78H,6-13H2,1H3/t16?,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+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+/m0/s1
• InChIKey: DSTZIMMHXKJUSO-MUJMBQOLSA-N

Properties

• Density: 1.595g/cm³ (Cal.)