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Molecule

Β-Cyclodextrin-Epichlorohydrin Copolymer

CAS: 25655-42-9 · C45H75ClO36

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
25655-42-9
Molecular Formula
C45H75ClO36
Molecular Mass
1227.51 g/mol

Identifiers

CAS Registry Number

25655-42-9

SMILES

ClCC1CO1.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO

InChI Key

WKAAHQRZZAMMNX-ZQOBQRRWSA-N

InChI

InChI=1S/C42H70O35.C3H5ClO/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;4-1-3-2-5-3/h8-63H,1-7H2;3H,1-2H2/t8-,9-,10-,11-,12-,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-;/m1./s1

Names and Synonyms

  • Β-Cyclodextrin-Epichlorohydrin Copolymer Synonym
  • β-Cyclodextrin, polymer with 2-(chloromethyl)oxirane Synonym
  • β-Cyclodextrin, polymer with 1-chloro-2,3-epoxypropane Synonym
  • β-Cyclodextrin, polymer with (chloromethyl)oxirane Synonym
  • Propane, 1-chloro-2,3-epoxy-, polymer with β-cyclodextrin Synonym
  • Oxirane, (chloromethyl)-, polymer with β-cyclodextrin Synonym
  • 2,4,7,9,12,14,17,19,22,24,27,29,32,34-Tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane, β-cyclodextrin deriv. Synonym
  • β-Cyclodextrin-epichlorohydrin copolymer Synonym
  • Epichlorohydrin-β-cyclodextrin copolymer Synonym
  • CY 2009 Synonym
  • Poly Ringdex B Synonym
  • β-Cyclodextrin-epichlorohydrin polymer Synonym
  • Poly(β-cyclodextrin-epichlorohydrin) Synonym
  • β-Cyclodextrin-chloromethyloxirane copolymer Synonym
  • β-Cyclodextrin-epoxy chloropropane copolymer Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 1227.51 g/mol CAS Common Chemistry
1227.5120000000015 g/mol RDKit
1227.512 g/mol RDKit
1227.509 g/mol chempirical lib
Canonical SMILES ClCC1OC1.OCC1OC2OC3C(O)C(O)C(OC3CO)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6CO)OC7C(O)C(O)C(OC7CO)OC8C(O)C(O)C(OC8CO)OC1C(O)C2O CAS Common Chemistry
InChI InChI=1S/C42H70O35.C3H5ClO/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;4-1-3-2-5-3/h8-63H,1-7H2;3H,1-2H2/t8-,9-,10-,11-,12-,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-;/m1./s1 CAS Common Chemistry
InChI Key InChIKey=WKAAHQRZZAMMNX-ZQOBQRRWSA-N CAS Common Chemistry
Melting Point 240 °C (decomp) CAS Common Chemistry
Name β-Cyclodextrin-epichlorohydrin copolymer CAS Common Chemistry
Heavy Atom Count 82 RDKit
Hydrogen Bond Acceptors 36 RDKit
Hydrogen Bond Donors 21 RDKit
Rotatable Bonds 8 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 566.5800000000003 Ų RDKit
566.58 Ų RDKit
563.28 Ų chempirical lib
LogP -14.606600000000034 RDKit
-14.6066 RDKit
Molar Refractivity 248.89379999999963 cm³/mol RDKit
Ring Count 22 RDKit
Formal Charge 0 RDKit
Fraction Csp3 1.0 RDKit
Exact Mass 1226.3726564 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 1227.51 g/mol. Edit any field — others recompute live.

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