Gluconapin

Base Information

• Chemical Name: Gluconapin
• CAS No.: 19041-09-9
• Molecular Formula: C11H19 N O9 S2
• Molecular Weight: 373.401
• Wikidata: Q76309360
• Mol file: 19041-09-9.mol

Synonyms:3-butenyl glucosinolate;gluconapin

Chemical Property of Gluconapin

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -3.00±0.18(Predicted)
• Flash Point: °C
• PSA: 199.79000
• Density: g/cm³
• LogP: -0.30060
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 373.05012353
• Heavy Atom Count: 23
• Complexity: 518

Purity/Quality:

98.5% ^*data from raw suppliers

Gluconapin potassium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O
• Isomeric SMILES: C=CCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O