Glucobrassicanapin

Base Information

• Chemical Name: Glucobrassicanapin
• CAS No.: 19041-10-2
• Molecular Formula: C12H21 N O9 S2
• Molecular Weight: 387.43
• European Community (EC) Number: 805-264-8
• Nikkaji Number: J390.322B
• Wikidata: Q76403354
• Mol file: 19041-10-2.mol

Synonyms:Glucobrassicanapin;19041-10-2;4-Pentenyl glucosinolate;CHEBI:79318;Glucobrassicanapin , HPLC Grade;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxyhex-5-enimidothioate;1-S-[(1Z)-N-(sulfooxy)hex-5-enimidoyl]-1-thio-beta-D-glucopyranose

Chemical Property of Glucobrassicanapin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 199.79000
• Density: g/cm³
• LogP: 0.08950
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 387.06577359
• Heavy Atom Count: 24
• Complexity: 533

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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