[[(E)-5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate

Base Information

• Chemical Name: [[(E)-5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate
• CAS No.: 28463-23-2
• Molecular Formula: C₁₂H₂₁NO₉S₃
• Molecular Weight: 419.498
• Mol file: 28463-23-2.mol

Synonyms:4-methylsulfinylbutyl GL;4-methylsulfinylbutyl glucosinolate;4-methylthio-3-butenyl GL;4-methylthio-3-butenyl glucosinolate;glucoraphasatin

Chemical Property of [[(E)-5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 258.82000
• Density: 1.69g/cm³
• LogP: -0.25900
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 435.03275939
• Heavy Atom Count: 26
• Complexity: 609

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC=CCC(C(=O)NOS(=O)(=O)O)C1(C(C(C(C(O1)CO)O)O)O)S
• Isomeric SMILES: CS/C=C/CC(C(=O)NOS(=O)(=O)O)[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)S