D-Gluconic acid, ion(1-), 1-carboxy-N,N,N-trimethylmethanaminium

CAS Registry Number®

94108-03-9

CAS Name

D-Gluconic acid, ion(1-), 1-carboxy-N,N,N-trimethylmethanaminium

Molecular Formula

C6H11O7.C5H12NO2

Molecular Mass

313.30

Cite this Page

D-Gluconic acid, ion(1-), 1-carboxy-N,N,N-trimethylmethanaminium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94108-03-9 (retrieved 2025-05-07) (CAS RN: 94108-03-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H12O7.C5H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-6(2,3)4-5(7)8/h2-5,7-11H,1H2,(H,12,13);4H2,1-3H3/t2-,3-,4+,5-;/m1./s1

InChIKey

InChIKey=UQBXMPGEPBEEAU-JJKGCWMISA-N

SMILES

C([N+](C)(C)C)C(O)=O.[C@H]([C@@H]([C@@H](CO)O)O)([C@H](C([O-])=O)O)O

Canonical SMILES

O=C([O-])C(O)C(O)C(O)C(O)CO.O=C(O)C[N+](C)(C)C

Other Names for this Substance

  • D-Gluconic acid, ion(1-), 1-carboxy-N,N,N-trimethylmethanaminium
  • Methanaminium, 1-carboxy-N,N,N-trimethyl-, D-gluconate
  • Betainium D-gluconate

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