6A,6B,6C,6D,6E,6F,6G,6H-Octabromo-6A,6B,6C,6D,6E,6F,6G,6H-octadeoxy-γ-cyclodextrin

CAS Registry Number®

53784-84-2
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CAS Name

6A,6B,6C,6D,6E,6F,6G,6H-Octabromo-6A,6B,6C,6D,6E,6F,6G,6H-octadeoxy-γ-cyclodextrin

Molecular Formula

C48H72Br8O32

Molecular Mass

1800.30

Cite this Page

6A,6B,6C,6D,6E,6F,6G,6H-Octabromo-6A,6B,6C,6D,6E,6F,6G,6H-octadeoxy-γ-cyclodextrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53784-84-2 (retrieved 2024-09-06) (CAS RN: 53784-84-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    231 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C48H72Br8O32/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-48,57-72H,1-8H2/t9-,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-,43-,44-,45-,46-,47-,48-/m1/s1

InChIKey

InChIKey=ONWAJCGYJSVQSX-NXDQAORESA-N

SMILES

C(Br)[C@@H]1[C@@]2([C@H](O)[C@@H](O)[C@](O1)(O[C@@]3([C@@H](CBr)O[C@@](C(O)[C@H]3O)(O[C@@]4([C@@H](CBr)O[C@@]([C@H](O)[C@H]4O)(O[C@@]5([C@@H](CBr)O[C@@]([C@H](O)[C@H]5O)(O[C@]6([C@H](O)[C@@H](O)[C@@](O[C@]7([C@H](O)[C@@H](O)[C@@](O[C@]8([C@H](O)[C@@H](O)[C@@](O[C@]9([C@H](O)[C@@H](O)[C@@](O2)(O[C@@H]9CBr)[H])[H])(O[C@@H]8CBr)[H])[H])(O[C@@H]7CBr)[H])[H])(O[C@@H]6CBr)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H]

Canonical SMILES

BrCC1OC2OC3C(O)C(O)C(OC3CBr)OC4C(O)C(O)C(OC4CBr)OC5C(O)C(O)C(OC5CBr)OC6C(O)C(O)C(OC6CBr)OC7C(O)C(O)C(OC7CBr)OC8C(O)C(O)C(OC8CBr)OC9C(O)C(O)C(OC9CBr)OC1C(O)C2O

Other Names for this Substance

  • γ-Cyclodextrin, 6A,6B,6C,6D,6E,6F,6G,6H-octabromo-6A,6B,6C,6D,6E,6F,6G,6H-octadeoxy-
  • 2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-Hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane, γ-cyclodextrin deriv.
  • 6A,6B,6C,6D,6E,6F,6G,6H-Octabromo-6A,6B,6C,6D,6E,6F,6G,6H-octadeoxy-γ-cyclodextrin
  • 6-Bromo-6-deoxy-γ-cyclodextrin
  • Octakis-(6-bromo-6-deoxy)-γ-cyclodextrin

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