Analyte Name

Sinalbin potassium salt

CAS Number

16411-05-5

Molecular Formula

C14 H18 N O10 S2 . K

Molecular Weight

463.52

Accurate Mass

463.0009

SMILES

[K+].OC[C@H]1O[C@@H](SC(=NOS(=O)(=O)[O-])Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C14H19NO10S2.K/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7;/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23);/q;+1/p-1/t9-,11-,12+,13-,14+;/m1./s1

IUPAC

potassium;[[2-(4-hydroxyphenyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat