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Substance Name: alpha-Cyclodextrin, dodecakis(hydrogen sulfate)
RN: 120825-95-8
InChIKey: PTUWKKPCRWRNGC-CCLRYOKDSA-N

Molecular Formula

  • C36-H60-O30.12(H2-O4-S)

Molecular Weight

  • 2149.7736
 
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Names and Synonyms

Synonyms

  • alpha-C6(D)-12(SO2OH)
  • alpha-Cyclohexadextrin dodecasulfate

Systematic Name

  • alpha-Cyclodextrin, dodecakis(hydrogen sulfate)

Registry Numbers

CAS Registry Number

  • 120825-95-8

System Generated Number

  • 0120825958

Molecular Formulas

Molecular Formula

  • C36-H60-O30.12(H2-O4-S)

Molecular Formula Fragments

  • C36-H60-O30
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C36H60O30.12H2O4S/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44;12*1-5(2,3)4/h7-54H,1-6H2;12*(H2,1,2,3,4)/t7-,8-,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-;;;;;;;;;;;;/m1............/s1

InChIKey

PTUWKKPCRWRNGC-CCLRYOKDSA-N

Smiles

C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O