Cas no 156510-99-5 (kappa-Cyclodextrin)

kappa-Cyclodextrin structure
kappa-Cyclodextrin structure
Product Name:kappa-Cyclodextrin
CAS No:156510-99-5
MF:C90H150O75
MW:2432.1090388298
CID:6636425
PubChem ID:162394200
Update Time:2024-01-13

kappa-Cyclodextrin Chemical and Physical Properties

Names and Identifiers

    • kappa-Cyclodextrin
    • 156510-99-5
    • Inchi： 1S/C90H150O75/c91-1-16-61-31(106)46(121)76(136-16)152-62-17(2-92)138-78(48(123)33(62)108)154-64-19(4-94)140-80(50(125)35(64)110)156-66-21(6-96)142-82(52(127)37(66)112)158-68-23(8-98)144-84(54(129)39(68)114)160-70-25(10-100)146-86(56(131)41(70)116)162-72-27(12-102)148-88(58(133)43(72)118)164-74-29(14-104)150-90(60(135)45(74)120)165-75-30(15-105)149-89(59(134)44(75)119)163-73-28(13-103)147-87(57(132)42(73)117)161-71-26(11-101)145-85(55(130)40(71)115)159-69-24(9-99)143-83(53(128)38(69)113)157-67-22(7-97)141-81(51(126)36(67)111)155-65-20(5-95)139-79(49(124)34(65)109)153-63-18(3-93)137-77(151-61)47(122)32(63)107/h16-135H,1-15H2/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-,56-,57-,58-,59-,60-,61?,62?,63?,64?,65?,66?,67?,68?,69?,70?,71?,72?,73?,74?,75?,76-,77-,78-,79-,80-,81-,82-,83?,84?,85-,86?,87-,88-,89-,90-/m1/s1
    • InChI Key： GZUUWCBLEMIRBL-NYIHOPSPSA-N
    • SMILES： C([C@H]1O[C@]2([H])OC3[C@@H]([C@@H](O)[C@@]([H])(OC4[C@@H]([C@@H](O)[C@@]([H])(OC5[C@@H]([C@@H](O)[C@@]([H])(OC6[C@@H]([C@@H](O)C(OC7[C@@H]([C@@H](O)C(OC8[C@@H]([C@@H](O)[C@@]([H])(OC9[C@@H]([C@@H](O)[C@@]([H])(OC%10[C@@H](CO)O[C@@]([H])([C@@H]([C@H]%10O)O)OC%10[C@@H](CO)O[C@@]([H])([C@@H]([C@H]%10O)O)OC%10[C@@H](CO)O[C@@]([H])([C@@H]([C@H]%10O)O)OC%10[C@@H](CO)OC([C@@H]([C@H]%10O)O)OC%10[C@@H](CO)O[C@@]([H])([C@@H]([C@H]%10O)O)OC%10[C@@H](CO)O[C@@]([H])([C@@H]([C@H]%10O)O)OC%10[C@@H](CO)O[C@@]([H])([C@@H]([C@H]%10O)O)OC1[C@@H]([C@H]2O)O)O[C@@H]9CO)O)O[C@@H]8CO)O)O[C@@H]7CO)O)O[C@@H]6CO)O)O[C@@H]5CO)O)O[C@@H]4CO)O)O[C@@H]3CO)O)O

Computed Properties

  • Exact Mass: 2430.7923512g/mol
  • Monoisotopic Mass: 2430.7923512g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 45
  • Hydrogen Bond Acceptor Count: 75
  • Heavy Atom Count: 165
  • Rotatable Bond Count: 15
  • Complexity: 3470
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 57
  • Undefined Atom Stereocenter Count : 18
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -32.2
  • Topological Polar Surface Area: 1190?2

Experimental Properties

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

kappa-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

kappa-Cyclodextrin Raw materials

kappa-Cyclodextrin Preparation Products

kappa-Cyclodextrin Related Literature

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