Glucocleomin

Base Information

• Chemical Name: Glucocleomin
• CAS No.: 36286-64-3
• Molecular Formula: C12H22NO10S2-
• Molecular Weight: 404.4343
• DSSTox Substance ID: DTXSID40415073
• Metabolomics Workbench ID: 70148
• Wikidata: Q110185011
• Mol file: 36286-64-3.mol

Synonyms:Glucocleomin;2-Hydroxy-2-methylbutyl glucosinolate;36286-64-3;C08406;AC1NQY35;DTXSID40415073;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (3S)-3-hydroxy-3-methyl-N-sulfooxy-pentanimidothioate

Chemical Property of Glucocleomin

Chemical Property:

• XLogP3: -1.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 405.07633828
• Heavy Atom Count: 25
• Complexity: 565

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O
• Isomeric SMILES: CC[C@@](C)(CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O