Chrysobactin

Base Information

• Chemical Name: Chrysobactin
• CAS No.: 120124-51-8
• Molecular Formula: C₁₆H₂₃N₃O₇
• Molecular Weight: 369.375
• DSSTox Substance ID: DTXSID10152685
• Wikidata: Q27131049
• Metabolomics Workbench ID: 61608
• Mol file: 120124-51-8.mol

Synonyms:chrysobactin;N-(N(2)-(2,3-dihydroxybenzoyl)lysyl)serine

Chemical Property of Chrysobactin

Chemical Property:

• Vapor Pressure: 5.29E-23mmHg at 25°C
• Boiling Point: 740.1°Cat760mmHg
• Flash Point: 401.4°C
• PSA: 189.19000
• Density: 1.414g/cm³
• LogP: 1.00230
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 369.15360008
• Heavy Atom Count: 26
• Complexity: 489

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O
• Isomeric SMILES: C1=CC(=C(C(=C1)O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O

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