Antrimycin

Base Information

• Chemical Name: Antrimycin
• CAS No.: 80801-26-9
• Molecular Formula: C28H47 N9 O11
• Molecular Weight: 685.72648
• Nikkaji Number: J157.873A,J523.815C
• Wikidata: Q77483942
• Metabolomics Workbench ID: 110135
• Mol file: 80801-26-9.mol

Synonyms:antrimycin;antrimycin A

Chemical Property of Antrimycin

Chemical Property:

• PSA: 345.65000
• Density: 1.49g/cm³
• LogP: -0.17580
• XLogP3: -7.2
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 17
• Exact Mass: 685.33950335
• Heavy Atom Count: 48
• Complexity: 1290

Purity/Quality:

95%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(C(=O)NC(CO)C(=O)O)NC(=O)C(C)NC(=O)C1CCC=NN1C(=O)C(C(C)N)NC(=O)C(C)NC(=O)C(CO)(CO)N)C
• Isomeric SMILES: CC/C(=C(\C(=O)N[C@@H](CO)C(=O)O)/NC(=O)[C@H](C)NC(=O)[C@@H]1CCC=NN1C(=O)[C@H]([C@H](C)N)NC(=O)[C@H](C)NC(=O)C(CO)(CO)N)/C