Betaine alpha-D-Glucofuranuronate
[CAS# 94108-60-8]

Identification

• Name: Betaine alpha-D-Glucofuranuronate
• Synonyms: Carboxymethyl-Trimethyl-Ammonium; (2S)-2-Hydroxy-2-[(2S,3R,4R,5S)-3,4,5-Trihydroxytetrahydrofuran-2-Yl]Acetate; Carboxymethyl-Trimethylammonium; (2S)-2-Hydroxy-2-[(2S,3R,4R,5S)-3,4,5-Trihydroxy-2-Tetrahydrofuranyl]Acetate; Carboxymethyl-Trimethyl-Azanium; (
• Molecular Formula: C₁₁H₂₁NO₉
• Molecular Weight: 311.29
• CAS Registry Number: 94108-60-8
• EINECS: 302-401-9
• SMILES: [C@@H]1(O[C@H](O)[C@H](O)[C@H]1O)[C@H](O)C([O-])=O.C([N+](C)(C)C)C(=O)O
• 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

Properties

• Boiling point: 544.7°C at 760 mmHg (Cal.)
• Flash point: 231.5°C (Cal.)