Isotriornicine

Base Information

• Chemical Name: Isotriornicine
• CAS No.: 81559-22-0
• Molecular Formula: C31H50N6O12
• Molecular Weight: 698.76
• Mol file: 81559-22-0.mol

Synonyms:isotriornicine;istriornicin

Chemical Property of Isotriornicine

Chemical Property:

• PSA: 265.92000
• Density: 1.279g/cm³
• LogP: 1.08860
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 22
• Exact Mass: 698.34867105
• Heavy Atom Count: 49
• Complexity: 1240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)N(CCCC(C(=O)OCCC(=CC(=O)N(CCCC1C(=O)NC(C(=O)N1)CCCN(C(=O)C)O)O)C)NC(=O)C)O)CCO
• Isomeric SMILES: C/C(=C\C(=O)N(CCC[C@@H](C(=O)OCC/C(=C/C(=O)N(CCCC1C(=O)N[C@@H](C(=O)N1)CCCN(C(=O)C)O)O)/C)NC(=O)C)O)/CCO