Cas no 156510-97-3 (zeta-Cyclodextrin)

zeta-Cyclodextrin structure
zeta-Cyclodextrin structure
Product Name:zeta-Cyclodextrin
CAS No:156510-97-3
MF:C66H110O55
MW:1783.54662847519
CID:4669618
PubChem ID:162394186
Update Time:2024-03-01

zeta-Cyclodextrin Chemical and Physical Properties

Names and Identifiers

    • zeta-Cyclodextrin
    • Inchi： 1S/C66H110O55/c67-1-12-45-23(78)34(89)56(100-12)112-46-13(2-68)102-58(36(91)25(46)80)114-48-15(4-70)104-60(38(93)27(48)82)116-50-17(6-72)106-62(40(95)29(50)84)118-52-19(8-74)108-64(42(97)31(52)86)120-54-21(10-76)110-66(44(99)33(54)88)121-55-22(11-77)109-65(43(98)32(55)87)119-53-20(9-75)107-63(41(96)30(53)85)117-51-18(7-73)105-61(39(94)28(51)83)115-49-16(5-71)103-59(37(92)26(49)81)113-47-14(3-69)101-57(111-45)35(90)24(47)79/h12-99H,1-11H2/t12-,13-,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-/m1/s1
    • InChI Key： FRRXZRMDESZTKD-HQHYJCQHSA-N
    • SMILES： O1C2[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(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(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([C@@H](CO)O2)OC2[C@@H]([C@H](C1[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

Computed Properties

  • Exact Mass: 1782.5810576g/mol
  • Monoisotopic Mass: 1782.5810576g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 33
  • Hydrogen Bond Acceptor Count: 55
  • Heavy Atom Count: 121
  • Rotatable Bond Count: 11
  • Complexity: 2460
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 49
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -23.6
  • Topological Polar Surface Area: 871?2

Experimental Properties

  • Density: 1.624±0.06 g/cm3 (20 oC 760 Torr),

zeta-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

zeta-Cyclodextrin Raw materials

zeta-Cyclodextrin Preparation Products

zeta-Cyclodextrin Related Literature

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