Nanaomycin C

Base Information

• Chemical Name: Nanaomycin C
• CAS No.: 58286-55-8
• Molecular Formula: C16H15 N O5
• Molecular Weight: 301.29
• DSSTox Substance ID: DTXSID40207016
• Wikidata: Q77420039
• Metabolomics Workbench ID: 111308
• Mol file: 58286-55-8.mol

Synonyms:nanaomycin C

Chemical Property of Nanaomycin C

Chemical Property:

• Vapor Pressure: 8.38E-17mmHg at 25°C
• Boiling Point: 636.6°Cat760mmHg
• PKA: 6.67±0.60(Predicted)
• Flash Point: 338.8°C
• PSA: 107.68000
• Density: 1.44g/cm³
• LogP: 2.27030
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 301.09502258
• Heavy Atom Count: 22
• Complexity: 567

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=C(CC(O1)CC(=O)N)C(=O)C3=C(C2=O)C(=CC=C3)O
• Isomeric SMILES: C[C@@H]1C2=C(C[C@H](O1)CC(=O)N)C(=O)C3=C(C2=O)C(=CC=C3)O

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