Updated CAS

Sinigrin monohydrate

product Name Sinigrin monohydrate
Synonyms Sinigrin monohydrate from horseradish; potassium 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate; Sinigrin; 1-S-[(1E)-N-(sulfonatooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose; tritium; potassium 1-S-[(1Z)-N-(sulfonatooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose
Molecular Formula C10H16KNO9S2
Molecular Weight 397.4636
InChI InChI=1/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6-;/t5-,7-,8+,9-,10+;/m1./s1
CAS Registry Number 3952-98-5
EINECS 223-545-8
Molecular Structure 3952-98-5 Sinigrin monohydrate
Melting point 127-130℃
Safety Description S24/25:Avoid contact with skin and eyes.;
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