Acetobromo-α-D-glucuronic acid methyl ester

CAS Registry Number®

21085-72-3

CAS Name

Acetobromo-α-D-glucuronic acid methyl ester

Molecular Formula

C13H17BrO9

Molecular Mass

397.17

Cite this Page

Acetobromo-α-D-glucuronic acid methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21085-72-3 (retrieved 2024-11-24) (CAS RN: 21085-72-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    106-107 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H17BrO9/c1-5(15)20-8-9(21-6(2)16)11(13(18)19-4)23-12(14)10(8)22-7(3)17/h8-12H,1-4H3/t8-,9-,10+,11-,12-/m0/s1

InChIKey

InChIKey=GWTNLHGTLIBHHZ-SVNGYHJRSA-N

SMILES

O(C(C)=O)[C@H]1[C@H](OC(C)=O)[C@@H](C(OC)=O)O[C@H](Br)[C@@H]1OC(C)=O

Canonical SMILES

O=C(OC1C(Br)OC(C(=O)OC)C(OC(=O)C)C1OC(=O)C)C

Other Names for this Substance

  • α-D-Glucopyranuronic acid, 1-bromo-1-deoxy-, methyl ester, 2,3,4-triacetate
  • Glucopyranuronic acid, 1-bromo-1-deoxy-, methyl ester, triacetate, α-D-
  • α-D-Glucopyranuronic acid, 1-bromo-1-deoxy-, methyl ester, triacetate
  • Glucuronic acid, 1-bromo-1-deoxy-, methyl ester, 2,3,4-triacetate
  • Methyl acetobromoglucuronate

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Deleted or Replaced CAS Registry Numbers

51740-90-0, 147662-92-8, 249290-64-0, 2170097-92-2

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