Cas no 156510-96-2 (η-Cyclodextrin)

η-Cyclodextrin structure
η-Cyclodextrin structure
Product Name:η-Cyclodextrin
CAS No:156510-96-2
MF:C72H120O60
MW:1945.68723106384
CID:6636426
PubChem ID:101245845
Update Time:2024-01-15

η-Cyclodextrin Chemical and Physical Properties

Names and Identifiers

    • C-Cyclodextrin
    • 156510-96-2
    • η-Cyclodextrin
    • Inchi： 1S/C72H120O60/c73-1-13-49-25(85)37(97)61(109-13)122-50-14(2-74)111-63(39(99)27(50)87)124-52-16(4-76)113-65(41(101)29(52)89)126-54-18(6-78)115-67(43(103)31(54)91)128-56-20(8-80)117-69(45(105)33(56)93)130-58-22(10-82)119-71(47(107)35(58)95)132-60-24(12-84)120-72(48(108)36(60)96)131-59-23(11-83)118-70(46(106)34(59)94)129-57-21(9-81)116-68(44(104)32(57)92)127-55-19(7-79)114-66(42(102)30(55)90)125-53-17(5-77)112-64(40(100)28(53)88)123-51-15(3-75)110-62(121-49)38(98)26(51)86/h13-108H,1-12H2/t13-,14-,15-,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-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1
    • InChI Key： MUUJVQLZUNNSLH-UFSIOYCVSA-N
    • SMILES： O1[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@H]1[C@@H](CO)O2)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O

Computed Properties

  • Exact Mass: 1944.6338810g/mol
  • Monoisotopic Mass: 1944.6338810g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 36
  • Hydrogen Bond Acceptor Count: 60
  • Heavy Atom Count: 132
  • Rotatable Bond Count: 12
  • Complexity: 2710
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 60
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -25.7
  • Topological Polar Surface Area: 950?2

Experimental Properties

  • Density: 1.624±0.06 g/cm3(Predicted)

η-Cyclodextrin Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Cyclodextrin glucanotransferase Solvents: Water ;  240 min, pH 5.5, 60 °C; 10 min, reflux
Reference
Effect of the reaction temperature on the transglycosylation reactions catalyzed by the cyclodextrin glucanotransferase from Bacillus macerans for the synthesis of large-ring cyclodextrins
Qi, Qingsheng; She, Xiaoyan; Endo, Tomohiro; Zimmermann, Wolfgang, Tetrahedron, 2004, 60(3), 799-806

η-Cyclodextrin Raw materials

η-Cyclodextrin Preparation Products

η-Cyclodextrin Related Literature

156510-96-2 (η-Cyclodextrin) Related Products

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