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(−)-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
 $180.00
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This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 00290-10MG

 

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
Biochem/physiol Actions: A β-D-thioglucopyranoside occurring in black mustard seeds and horseradish root. Substrate for thioglucosidase.
Packaging: Bottomless glass bottle. Contents are inside inserted fused cone.
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥99.0% (TLC)
mp 128 (dec.) (lit.)
UNSPSC 85151701

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