4-Hydroxyglucobrassicin

cas: 83327-20-2 — see every product listed under this CAS number, including other names

4-Hydroxyglucobrassicin (CAS 83327-20-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULG156005
cas83327-20-2
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate (CAS 83327-20-2) is a chemical compound with the molecular formula C16H20N2O10S2 and a molecular weight of 464.5 g/mol. IUPAC name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate. InChIKey: CSMYCLLHRFFFLG-IRHMCKRBSA-N.

Identity
Molecular formulaC16H20N2O10S2
Molecular weight464.5 g/mol
IUPAC name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate
InChIKeyCSMYCLLHRFFFLG-IRHMCKRBSA-N
SMILESC1=CC2=C(C(=C1)O)C(=CN2)CC(=NOS(=O)(=O)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: 4-Hydroxyglucobrassicin, 4-hydroxyindol-3-ylmethylglucosinolate, 4-Hydroxy-3-indolylmethylglucosinolate, 4- Hydroxyglucobrassicin (4-Hydroxy-3-indomethyl-GS)

Also listed as

4-Hydroxyglucobrassicin potassium salt HPC Standards CAS 83327-20-2