beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate)

Base Information

• Chemical Name: beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate)
• CAS No.: 499-37-6
• Molecular Formula: C13H25NO10S3
• Molecular Weight: 450.5259
• Nikkaji Number: J398.666G
• Mol file: 499-37-6.mol

Synonyms:Glucoalyssin;beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate);499-37-6;1-Thio-beta-D-glucopyranose 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate);[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-6-methylsulfinyl-N-sulfooxyhexanimidothioate;C13H25NO10S3;5-methylsulfinylpentyl glucosinolate;C13-H25-N-O10-S3;CHEBI:5395;1-S-[(1Z)-6-(methylsulfinyl)-N-(sulfonatooxy)hexanimidoyl]-1-thio-beta-D-glucopyranose

Chemical Property of beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 238.90000
• Density: g/cm³
• LogP: 0.19520
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 11
• Exact Mass: 451.06405951
• Heavy Atom Count: 27
• Complexity: 608

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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