Glucolepidiin

Base Information

• Chemical Name: Glucolepidiin
• CAS No.: 101144-39-2
• Molecular Formula: C9H17NO9S2
• Molecular Weight: 347.4
• DSSTox Substance ID: DTXSID10349639
• Metabolomics Workbench ID: 69966
• Mol file: 101144-39-2.mol

Synonyms:Glucolepidiin;Ethyl glucosinolate;C08413;101144-39-2;AC1LCV6G;DTXSID10349639;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] N-sulfooxypropanimidothioate

Chemical Property of Glucolepidiin

Chemical Property:

• XLogP3: -1.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 347.03447347
• Heavy Atom Count: 21
• Complexity: 462

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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