SINIGRIN MONOHYDRatE

Datasheet MSDS
Catalog Number
ANC06125
Product Name
SINIGRIN MONOHYDRatE
Structure
SINIGRIN MONOHYDRatE
CAS Number
64550-88-5
IUPAC Name
[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate
Synonyms
sinigrinmonohydrate; 1-S-[(1E)-N-(sulfonatooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose
Molecular Formula
C10H16KNO9S2
Molecular Weight
358.4
Appearance
Powder
Purity
>98%
SMILES
C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C10H17NO9S2/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)/p-1
InChI Key
PHZOWSSBXJXFOR-UHFFFAOYSA-M
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