Sygethin free acid

Base Information

• Chemical Name: Sygethin free acid
• CAS No.: 60252-39-3
• Molecular Formula: C18H22 O6 S2
• Molecular Weight: 398.49
• UNII: Z2WJD37N4U
• Wikidata: Q27294921
• Mol file: 60252-39-3.mol

Synonyms:dipotassium-meso-n,n-disulfo-3,4-diphenylhexane;sigetin;sigetin, dipotassium salt

Chemical Property of Sygethin free acid

Chemical Property:

• PSA: 125.50000
• Density: 1.346g/cm³
• LogP: 6.02900
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 398.08578076
• Heavy Atom Count: 26
• Complexity: 572

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C1=CC=C(C=C1)S(=O)(=O)O)C(CC)C2=CC=C(C=C2)S(=O)(=O)O
• Isomeric SMILES: CC[C@H](C1=CC=C(C=C1)S(=O)(=O)O)[C@@H](CC)C2=CC=C(C=C2)S(=O)(=O)O