Betaine alpha-D-glucofuranuronate

CAS

94108-60-8

Catalog Number

ACM94108608

Category

Other Products

Molecular Weight

311.285740 [g/mol]

Molecular Formula

C₆H₉O₇.C₅H₁₂NO₂

MSDS COA Spec Sheet

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Specification

Synonyms

Betaine alpha-D-glucofuranuronate, CID83884, EINECS 302-401-9, alpha-D-Glucofuranuronic acid, ion(1-), 1-carboxy-N,N,N-trimethylmethanaminium, 94108-60-8

IUPAC Name

carboxymethyl(trimethyl)azanium; (2S)-2-hydroxy-2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetate

InChI Key

QPYCRBIYNBYSDQ-JETIKSQDSA-N

Boiling Point

544.7ºC at 760 mmHg

Flash Point

231.5ºC

Exact Mass

288.23000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Betaine alpha-D-glucofuranuronate?

The molecular formula of Betaine alpha-D-glucofuranuronate is C11H21NO9.

What are the synonyms of Betaine alpha-D-glucofuranuronate?

The synonyms of Betaine alpha-D-glucofuranuronate are EINECS 302-401-9 and 94108-60-8.

What is the molecular weight of Betaine alpha-D-glucofuranuronate?

The molecular weight of Betaine alpha-D-glucofuranuronate is 311.29 g/mol.

What is the IUPAC Name of Betaine alpha-D-glucofuranuronate?

The IUPAC Name of Betaine alpha-D-glucofuranuronate is carboxymethyl(trimethyl)azanium;(2S)-2-hydroxy-2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetate.

What is the InChI of Betaine alpha-D-glucofuranuronate?

The InChI of Betaine alpha-D-glucofuranuronate is 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.

What is the InChIKey of Betaine alpha-D-glucofuranuronate?

The InChIKey of Betaine alpha-D-glucofuranuronate is QPYCRBIYNBYSDQ-JETIKSQDSA-N.

What is the canonical SMILES of Betaine alpha-D-glucofuranuronate?

The canonical SMILES of Betaine alpha-D-glucofuranuronate is C[N+](C)(C)CC(=O)O.C1(C(C(OC1C(C(=O)[O-])O)O)O)O.

What is the isomeric SMILES of Betaine alpha-D-glucofuranuronate?

The isomeric SMILES of Betaine alpha-D-glucofuranuronate is C[N+](C)(C)CC(=O)O.[C@H]1([C@H]([C@H](O[C@@H]1[C@@H](C(=O)[O-])O)O)O)O.

What is the CAS number of Betaine alpha-D-glucofuranuronate?

The CAS number of Betaine alpha-D-glucofuranuronate is 94108-60-8.

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