chempirical

β-Cyclodextrin-epichlorohydrin copolymer

C45H75ClO36CAS 25655-42-91227.51 g/mol

Open in Covalent MOL file
ClOHOOOHOOHOOHOHOOHOHOHOHOOOHHOOOHHOOOHOHOOHOOHOOHOHOOOHOOH
AcetalAlcoholAlkyl halideEpoxideEther

Properties

Molecular formula
C45H75ClO36
Molar mass
1227.51 g/mol
Exact mass
1226.3727 Da
Melting point
240 °C (decomposes)
logP
-14.61Crippen estimate
Polar surface area
566.6 Ų
H-bond donors / acceptors
21 / 36
Rotatable bonds
8
Stereocentres
R, R, S, R, R, R, S, R, R, R, S, R, R, R, S, R, R, R, S, R, R, R, S, R, R, R, S, R, R, R, R, R, R, R, Rin SMILES atom order

Identifiers

CAS 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
InChIKey
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • β-Cyclodextrin, polymer with 2-(chloromethyl)oxirane
  • β-Cyclodextrin, polymer with 1-chloro-2,3-epoxypropane
  • β-Cyclodextrin, polymer with (chloromethyl)oxirane
  • Propane, 1-chloro-2,3-epoxy-, polymer with β-cyclodextrin
  • Oxirane, (chloromethyl)-, polymer with β-cyclodextrin
  • 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.
  • Epichlorohydrin-β-cyclodextrin copolymer
  • CY 2009
  • Poly ringdex B
  • β-Cyclodextrin-epichlorohydrin polymer
  • Poly(β-cyclodextrin-epichlorohydrin)
  • β-Cyclodextrin-chloromethyloxirane copolymer
  • β-Cyclodextrin-epoxy chloropropane copolymer

Work with β-Cyclodextrin-epichlorohydrin copolymer

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

γ-Cyclodextrin17465-86-067 % similar β-Cyclodextrin7585-39-967 % similar α-D-Lactose14641-93-154 % similar β-Lactose5965-66-254 % similar Epichlorohydrin-sucrose copolymer26873-85-853 % similar Hydroxyethyl beta-cyclodextrin128446-32-251 % similar Lactose, monohydrate10039-26-650 % similar α-Lactose monohydrate5989-81-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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