Sulfobacin B

Base Information

• Chemical Name: Sulfobacin B
• CAS No.: 170242-21-4
• Molecular Formula: C₃₂H₆₅NO₅S
• Molecular Weight: 575.938
• DSSTox Substance ID: DTXSID30434016
• Nikkaji Number: J692.128K
• Wikidata: Q76414955
• Metabolomics Workbench ID: 78403
• Mol file: 170242-21-4.mol

Synonyms:3-hydroxy-15-methyl-2-(13-methyltetradecanamido)hexadecanesulfonic acid;sulfobacin B

Chemical Property of Sulfobacin B

Chemical Property:

• XLogP3: 11.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 28
• Exact Mass: 575.45834535
• Heavy Atom Count: 39
• Complexity: 660

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCCCCCCCC(C(CS(=O)(=O)O)NC(=O)CCCCCCCCCCCC(C)C)O
• Isomeric SMILES: CC(C)CCCCCCCCCCC[C@H]([C@H](CS(=O)(=O)O)NC(=O)CCCCCCCCCCCC(C)C)O

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