24,25,41,42,43,44,45,46,49,50,51,52,53,54,55-Pentadecahydroxy-5,10,15,20,30,35,40,47-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,27,29,32,34,39-tetradecaoxanonacyclo[36.2.2.2^3,6.2^8,11.2^13,16.2 ^18,21.2^23,26.2^28,31.2^33,36]hexapentacont-56-yl 4-methylbenzenesulfonate
[CAS# 97227-32-2]

Identification

• Classification: Chemical reagent >> Organic reagent >> Cyclodextrin
• Name: 24,25,41,42,43,44,45,46,49,50,51,52,53,54,55-Pentadecahydroxy-5,10,15,20,30,35,40,47-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,27,29,32,34,39-tetradecaoxanonacyclo[36.2.2.2^3,6.2^8,11.2^13,16.2 ^18,21.2^23,26.2^28,31.2^33,36]hexapentacont-56-yl 4-methylbenzenesulfonate
• Synonyms: Mono-2-O-(p-toluenesulfonyl)-γ-cyclodextrin
• Molecular Formula: C₅₇H₉₀O₄₀S
• Molecular Weight: 1447.37
• CAS Registry Number: 97227-32-2
• SMILES: Cc1ccc(cc1)S(=O)(=O)OC2C(C3C(OC2OC4C(OC(CC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(CC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(O3)C(C1O)O)CO)CO)CO)CO)CO)CO)C(C4O)O)CO)CO)O
• InChI: 1S/C57H90O40S/c1-16-2-4-18(5-3-16)98(81,82)97-51-43(80)50-28(15-65)90-57(51)96-46-23(10-60)83-21(31(68)33(46)70)7-19-22(9-59)85-52(38(75)29(19)66)92-47-25(12-62)87-53(40(77)35(47)72)91-44-17(8-58)6-20(30(67)32(44)69)84-45-24(11-61)86-54(39(76)34(45)71)93-48-26(13-63)88-55(41(78)36(48)73)94-49-27(14-64)89-56(95-50)42(79)37(49)74/h2-5,17,19-80H,6-15H2,1H3
• InChIKey: FPYKKLODEPOJBQ-UHFFFAOYSA-N

Properties

• Density: 1.793g/cm³ (Cal.)