Betaine alpha-D-glucofuranuronate

Base Information

• Chemical Name: Betaine alpha-D-glucofuranuronate
• CAS No.: 94108-60-8
• Molecular Formula: C11H21NO9
• Molecular Weight: 311.28574
• European Community (EC) Number: 302-401-9
• Mol file: 94108-60-8.mol

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

Chemical Property of Betaine alpha-D-glucofuranuronate

Chemical Property:

• Boiling Point: 544.7oC at 760 mmHg
• Flash Point: 231.5oC
• PSA: 65.52000
• LogP: 2.36620
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 311.12163125
• Heavy Atom Count: 21
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CC(=O)O.C1(C(C(OC1C(C(=O)[O-])O)O)O)O
• Isomeric SMILES: 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

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