1 CHEM
FC-0889903

Sinigrin

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About This Item

Molecular FormulaC10H16KNO9S2
CAS Number3952-98-5

FC-0889903

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Properties

Chemical Identifiers

IUPAC Namepotassium [(E)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate
SMILESC=CC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.[K+]
InChI KeyQKFAFSGJTMHRRY-OCFLFPRFSA-M

Physical Properties

Melting Point128 (dec.)(lit.)ºC