beta-Citryl-L-glutamic acid

Base Information

• Chemical Name: beta-Citryl-L-glutamic acid
• CAS No.: 73590-26-8
• Molecular Formula: C11H15NO10
• Molecular Weight: 321.24
• DSSTox Substance ID: DTXSID00989003
• Nikkaji Number: J2.657.658J
• Wikidata: Q27146605

Synonyms:beta-citryl-L-glutamate;beta-citryl-L-glutamic acid;beta-citrylglutamic acid;beta-citrylglutamic acid, (S)-isomer

Chemical Property of beta-Citryl-L-glutamic acid

Chemical Property:

• PSA: 198.53000
• LogP: -1.50800
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 321.06959568
• Heavy Atom Count: 22
• Complexity: 469

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C(CC(=O)O)C(C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O
• Isomeric SMILES: C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O

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