Glucotropaeolin

Base Information

• Chemical Name: Glucotropaeolin
• CAS No.: 499-26-3
• Molecular Formula: C14H18NO9S2-
• Molecular Weight: 409.438
• DSSTox Substance ID: DTXSID10964467
• Wikipedia: Glucotropaeolin
• Wikidata: Q27102224
• Mol file: 499-26-3.mol

Synonyms:glucotropaeolin;glucotropeolin;glucotropeolin, potassium salt

Chemical Property of Glucotropaeolin

Chemical Property:

• PKA: -2.97±0.18(Predicted)
• PSA: 199.79000
• Density: 1.70±0.1 g/cm3(Predicted)
• LogP: -0.02410
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 409.05012353
• Heavy Atom Count: 26
• Complexity: 574

Purity/Quality:

≥98% （HPLC） ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O
• Isomeric SMILES: C1=CC=C(C=C1)C/C(=N\OS(=O)(=O)O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O