Myxochelin C

Base Information

• Chemical Name: Myxochelin C
• CAS No.: 179751-76-9
• Molecular Formula: C27H29N3O9
• DSSTox Substance ID: DTXSID20431756
• Nikkaji Number: J942.666C
• Wikidata: Q82245712
• Metabolomics Workbench ID: 70779
• ChEMBL ID: CHEMBL493944

Synonyms:Myxochelin C;CHEMBL493944;C06450;N-[(5S)-5,6-bis[(2,3-dihydroxybenzoyl)amino]hexyl]-2,3-dihydroxy-benzamide;CTK0A6698;179751-76-9;SureCN8361523;SCHEMBL8361523;DTXSID20431756

Chemical Property of Myxochelin C

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 539.19037951
• Heavy Atom Count: 39
• Complexity: 815

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)O)O)C(=O)NCCCCC(CNC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O
• Isomeric SMILES: C1=CC(=C(C(=C1)O)O)C(=O)NCCCC[C@@H](CNC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O

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