Glucoiberin

Base Information

• Chemical Name: Glucoiberin
• CAS No.: 554-88-1
• Molecular Formula: C11H21 N O10 S3
• Molecular Weight: 423.48
• Mol file: 554-88-1.mol

Synonyms:glucoiberin

Chemical Property of Glucoiberin

Chemical Property:

• Melting Point: 141-143 °C
• PKA: -3.05±0.18(Predicted)
• PSA: 236.07000
• Density: 1.8g/cm³
• LogP: -0.24240
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 423.03275939
• Heavy Atom Count: 25
• Complexity: 577

Purity/Quality:

97% ^*data from raw suppliers

Glucoiberin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O
• Isomeric SMILES: CS(=O)CCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
• Uses: Glucoiberin can be synthesized from Desulfo Glucoraphanin Tetraacetate (D297880), a glucosinolate analog of Glucoraphanin found in cruciferous vegetables such as broccoli and cauliflower.