Epithienamycin E

Base Information

• Chemical Name: Epithienamycin E
• CAS No.: 79057-46-8
• Molecular Formula: C13H16 N2 O8 S2
• Molecular Weight: 392.40474
• DSSTox Substance ID: DTXSID001316822
• Metabolomics Workbench ID: 70889,98748
• Nikkaji Number: J23.015D
• Wikidata: Q27105132
• Mol file: 79057-46-8.mol

Synonyms:AB 110 D antibiotic;AB-110-D antibiotic;antibiotic AB 110-D;epithienamycin E;epithienamycin E, sodium salt

Chemical Property of Epithienamycin E

Chemical Property:

• PSA: 183.99000
• Density: 1.68g/cm³
• LogP: 1.47130
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 392.03480782
• Heavy Atom Count: 25
• Complexity: 767

Purity/Quality:

>98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C1C2CC(=C(N2C1=O)C(=O)O)SC=CNC(=O)C)OS(=O)(=O)O
• Isomeric SMILES: C[C@@H]([C@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S/C=C/NC(=O)C)OS(=O)(=O)O

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