CID 5492609

Base Information

• Chemical Name: CID 5492609
• CAS No.: 131727-01-0
• Molecular Formula: C40H34 Cl2 N6 O6
• Molecular Weight: 765.65
• Mol file: 131727-01-0.mol

Synonyms:diazonamide A

Chemical Property of CID 5492609

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 201.76000
• Density: 1.58g/cm³
• LogP: 7.77340
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 764.1916882
• Heavy Atom Count: 54
• Complexity: 1480

Purity/Quality:

≥98% （HPLC） ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C2=NC3=C(O2)C45C(NC6=C(C=CC=C64)C7=C8C(=CC=C7)NC(=C8C9=C(N=C3O9)Cl)Cl)OC2=C5C=C(CC(C(=O)N1)NC(=O)C(C(C)C)O)C=C2
• Isomeric SMILES: CC(C)[C@H]1C2=NC3=C(O2)C45[C@@H](NC6=C(C=CC=C64)C7=C8C(=CC=C7)NC(=C8C9=C(N=C3O9)Cl)Cl)OC2=C5C=C(C[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)O)C=C2