4356-52-9

Name	glucobrassicin
CAS	4356-52-9
Molecular Formula	C16H20N2O9S2
Molecular Weight	448.47
MOL File	4356-52-9.mol

Synonyms

glucobrassicin 3-INDOLYLMETHYLGLUCOSINOLATE Indole-3-methyl glucosinolate 2-(1H-Indole-3-yl)-1-(sulfooxyimino)ethyl 1-thio-β-D-glucopyranoside β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-1H-indole-3-ethanimidate] 1-S-[1-(Sulfooxyimino)-2-(1H-indole-3-yl)ethyl]-1-thio-β-D-glucopyranose 1-Thio-β-D-glucopyranose 1-[N-(hydroxysulfonyloxy)-1H-indole-3-ethane-1-imidate] Sulfuric acid O-[1-(β-D-glucopyranosylthio)-2-(1H-indol-3-yl)ethylideneamino] ester

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Chemical Properties

Melting point	149-150 °C
density	1.80±0.1 g/cm3(Predicted)
pka	-3.05±0.18(Predicted)

Hazard Information

Definition

ChEBI: An indolylmethylglucosinolic acid that is 1-thio-beta-D-glucopyranose having a 2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl group attached to the anomeric sulfur.

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