(−)-Sinigrin hydrate

SIGMA/S1647 - ≥98% (HPLC), from horseradish

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-S1647-500MG	500 mg	$0.00 1/EA CALL FOR PRICE		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	≥98% (HPLC)
biological source	horseradish
cation traces	K: 8.4-10.8% (anhydrous)
color	white
form	powder
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.)
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
solubility	water: 50 mg/mL, clear, colorless to faintly yellow
storage temp.	room temp
technique(s)	HPLC: suitable

Biochem/physiol Actions:	A β-D-thioglucopyranoside occurring in black mustard seeds and horseradish root. Substrate for thioglucosidase.
Other Notes:	To gain a comprehensive understanding of our extensive range of Monosaccharides for your research, we encourage you to visit our Carbohydrates Category page.
Packaging:	1 g in poly bottle
Packaging:	500 mg in poly bottle

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	≥98% (HPLC)
mp	128 (dec.) (lit.)
Storage Temp.	room temp
UNSPSC	12352201

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