Mycobactin

Base Information

• Chemical Name: Mycobactin
• CAS No.: 1400-46-0
• Molecular Formula: C27H37N5O10
• Molecular Weight: 591.61018
• Wikidata: Q105179126
• Mol file: 1400-46-0.mol

Synonyms:mycobactin;mycobactin (M);mycobactin S;mycobactins

Chemical Property of Mycobactin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 210.89000
• Density: 1.41g/cm³
• LogP: 2.17730
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 15
• Exact Mass: 591.25404239
• Heavy Atom Count: 42
• Complexity: 979

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C(=O)C(C1)NC(=O)CCOC(=O)C(CCCCCN(C=O)O)NC(=O)C2COC(=N2)C3=CC=CC=C3O)O