n-Pentyl beta-Glucosinolate Potassium Salt
Product Code
TRC-P834540-100MG
CAS Number
Product Format
Neat
Molecular Formula
C12 H22 K N O9 S2
Molecular Weight
427.533
Product Categories
Product Information
Chemical Data
Analyte Name
n-Pentyl beta-Glucosinolate Potassium Salt
CAS Number
2177245-08-6
Molecular Formula
C12 H22 K N O9 S2
Molecular Weight
427.533
Accurate Mass
427.037
SMILES
CCCCC\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/C12H23NO9S2.K/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12;/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20);/q;+1/p-1/b13-8-;/t7-,9-,10+,11-,12+;/m1./s1
IUPAC
[(Z)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhexylideneamino]oxysulfonyloxypotassium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat