(−)-Sinigrin hydrate

SIAL/00290 - analytical standard

CAS Number: 3952-98-5
Empirical Formula (Hill Notation): C₁₀H₁₆KNO₉S₂ · xH₂O
Molecular Weight: 397.46 (anhydrous basis)
MDL Number: MFCD00149447
Linear Formula: C₁₀H₁₆KNO₉S₂ · xH₂O
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-00290-10MG	10 mg	$185.00 1/EAAdd To Favorites		Add To Favorites

application(s)	food and beverages
assay	≥99.0% (TLC)
format	neat
grade	analytical standard
impurities	≤6.0% water
InChI	1S/C10H17NO9S2.K.H2O/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);;1H2/q;+1;/p-1/b11-6+;;/t5-,7-,8+,9-,10+;;/m1../s1
InChI key	IUBVMJHASFBYGW-WBMBWNLZSA-M
mp	128 (dec.) (lit.)
optical activity	[α]/D -17.0±1°, c = 1 in H₂O
Quality Level	100
shelf life	limited shelf life, expiry date on the label
SMILES string	[K+].[H]O[H].OC[C@H]1O[C@@H](SC(CC=C)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O