Napyradiomycin A2

Base Information

• Chemical Name: Napyradiomycin A2
• CAS No.: 111216-62-7
• Molecular Formula: C25H30 Cl2 O6
• Molecular Weight: 497.41
• Wikidata: Q105172748
• Mol file: 111216-62-7.mol

Synonyms:16-hydroxy-17-methylenenapyradiomycin A1;napyradiomycin A2;NPD-A2

Chemical Property of Napyradiomycin A2

Chemical Property:

• Vapor Pressure: 1.43E-19mmHg at 25°C
• Boiling Point: 682.6°Cat760mmHg
• Flash Point: 366.6°C
• PSA: 104.06000
• Density: 1.35g/cm³
• LogP: 5.05310
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 496.1419441
• Heavy Atom Count: 33
• Complexity: 854

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C(CCC(=CCC12C(=O)C3=C(C(=CC(=C3)O)O)C(=O)C1(CC(C(O2)(C)C)Cl)Cl)C)O
• Isomeric SMILES: CC(=C)C(CC/C(=C/C[C@]12C(=O)C3=C(C(=CC(=C3)O)O)C(=O)[C@]1(C[C@H](C(O2)(C)C)Cl)Cl)/C)O