Analyte Name

n-Propyl beta-Glucosinolate Potassium Salt

CAS Number

2177245-06-4

Molecular Formula

C10 H18 K N O9 S2

Molecular Weight

399.479

Accurate Mass

399.006

SMILES

CCC\C(=N\OS(=O)(=O)O[K])\S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C10H19NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h5,7-10,12-15H,2-4H2,1H3,(H,16,17,18);/q;+1/p-1/b11-6-;/t5-,7-,8+,9-,10+;/m1./s1

IUPAC

[(Z)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbutylideneamino]oxysulfonyloxypotassium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat