Octacosamicin B

Base Information

• Chemical Name: Octacosamicin B
• CAS No.: 122005-24-7
• Deprecated CAS: 120527-86-8
• Molecular Formula: C32H54 N4 O9
• Molecular Weight: 638.8
• Nikkaji Number: J2.429.129D
• Metabolomics Workbench ID: 98514
• Mol file: 122005-24-7.mol

Synonyms:octacosamicin B

Chemical Property of Octacosamicin B

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 241.22000
• Density: 1.2g/cm³
• LogP: 3.96700
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 27
• Exact Mass: 638.38907931
• Heavy Atom Count: 45
• Complexity: 984

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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