Octacosamicin A

Base Information

• Chemical Name: Octacosamicin A
• CAS No.: 122005-25-8
• Molecular Formula: C31H52 N4 O9
• Molecular Weight: 624.771
• Nikkaji Number: J2.417.921D
• Metabolomics Workbench ID: 98513
• Mol file: 122005-25-8.mol

Synonyms:octacosamicin A

Chemical Property of Octacosamicin A

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 241.22000
• Density: 1.21g/cm³
• LogP: 3.72100
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 27
• Exact Mass: 624.37342925
• Heavy Atom Count: 44
• Complexity: 952

Purity/Quality:

>95% ^*data from raw suppliers

OCTACOSAMICIN A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCC=CC=CC(=O)CCCC=CC=CCCCCC(CC(CC(C(C(=O)NCC(=O)O)O)O)O)O)CCN(C(=N)N)O
• Isomeric SMILES: C(CC/C=C/C=C/C(=O)CCC/C=C/C=C/CCCCC(CC(CC(C(C(=O)NCC(=O)O)O)O)O)O)CCN(C(=N)N)O

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