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Substance Name: Betaine alpha-D-glucofuranuronate
RN: 94108-60-8
InChIKey: QPYCRBIYNBYSDQ-JETIKSQDSA-N

Molecular Formula

  • C6-H9-O7.C5-H12-N-O2

Molecular Weight

  • 311.285
 
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Names and Synonyms

Synonym

  • EINECS 302-401-9

Systematic Names

  • alpha-D-Glucofuranuronic acid, ion(1-), 1-carboxy-N,N,N-trimethylmethanaminium
  • Betaine alpha-D-glucofuranuronate

Registry Numbers

CAS Registry Number

  • 94108-60-8

System Generated Number

  • 0094108608

Molecular Formulas

Molecular Formula

  • C6-H9-O7.C5-H12-N-O2

Molecular Formula Fragments

  • C5-H12-N-O2
  • C6-H9-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C6H10O7.C5H11NO2/c7-1-2(8)6(12)13-4(1)3(9)5(10)11;1-6(2,3)4-5(7)8/h1-4,6-9,12H,(H,10,11);4H2,1-3H3/t1-,2-,3+,4+,6+;/m1./s1

InChIKey

QPYCRBIYNBYSDQ-JETIKSQDSA-N

Smiles

O1[C@@H]([C@@H]([C@H](O)[C@H]1O)O)[C@@H](C(=O)[O-])O.[N+](CC(=O)O)(C)(C)C