Chemical Property of [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-methylsulfinyl-N-sulfooxybutanimidothioate
Chemical Property:
- Melting Point:141-143 °C
- PKA:-3.05±0.18(Predicted)
- PSA：236.07000
- Density:1.8g/cm3
- LogP:-0.24240
- XLogP3:-2.4
- Hydrogen Bond Donor Count:5
- Hydrogen Bond Acceptor Count:13
- Rotatable Bond Count:9
- Exact Mass:423.03275939
- Heavy Atom Count:25
- Complexity:577
- Purity/Quality:
-
99% *data from raw suppliers
Glucoiberin *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CS(=O)CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O
- Isomeric SMILES:CS(=O)CCC/C(=N\OS(=O)(=O)O)/SC1C(C(C(C(O1)CO)O)O)O
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Uses
Glucoiberin can be synthesized from Desulfo Glucoraphanin Tetraacetate (D297880), a glucosinolate analog of Glucoraphanin found in cruciferous vegetables such as broccoli and cauliflower.
