6-Deoxy-6-azido-β-cyclodextrin

CAS Registry Number®

98169-85-8
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CAS Name

6-Deoxy-6-azido-β-cyclodextrin

Molecular Formula

C42H69N3O34

Cite this Page

6-Deoxy-6-azido-β-cyclodextrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98169-85-8 (retrieved 2024-07-06) (CAS RN: 98169-85-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C42H69N3O34/c43-45-44-1-8-29-15(52)22(59)36(66-8)74-30-9(2-46)68-38(24(61)17(30)54)76-32-11(4-48)70-40(26(63)19(32)56)78-34-13(6-50)72-42(28(65)21(34)58)79-35-14(7-51)71-41(27(64)20(35)57)77-33-12(5-49)69-39(25(62)18(33)55)75-31-10(3-47)67-37(73-29)23(60)16(31)53/h8-42,46-65H,1-7H2/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

InChIKey

InChIKey=CNXCXSMYMLPAMS-MMVASHBDSA-N

SMILES

C(N=[N+]=[N-])[C@@H]1[C@]2(O[C@]3(O[C@H](CO)[C@]([C@H](O)[C@H]3O)(O[C@]4(O[C@H](CO)[C@]([C@H](O)[C@H]4O)(O[C@]5(O[C@H](CO)[C@]([C@H](O)[C@H]5O)(O[C@]6(O[C@H](CO)[C@@](O[C@]7(O[C@H](CO)[C@@](O[C@]8(O[C@H](CO)[C@@](O[C@@](O1)(C(O)[C@H]2O)[H])([C@H](O)[C@H]8O)[H])[H])([C@H](O)[C@H]7O)[H])[H])([C@H](O)[C@H]6O)[H])[H])[H])[H])[H])[H])[H])[H])[H]

Canonical SMILES

[N-]=[N+]=NCC1OC2OC3C(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

Other Names for this Substance

  • β-Cyclodextrin, 6A-azido-6A-deoxy-
  • 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.
  • 6A-Azido-6A-deoxy-β-cyclodextrin
  • 6-Azido-6-deoxycyclomaltoheptaose
  • 6-Deoxy-6-azido-β-cyclodextrin

View All

Deleted or Replaced CAS Registry Numbers

150507-45-2, 1884297-88-4