S1647
(−)-Sinigrin hydrate
≥98% (HPLC), from horseradish
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About This Item
Empirical Formula (Hill Notation):
C10H16KNO9S2 · xH2O
CAS Number:
Molecular Weight:
397.46 (anhydrous basis)
NACRES:
NA.25
PubChem Substance ID:
UNSPSC Code:
12352201
MDL number:
biological source
horseradish
assay
≥98% (HPLC)
form
powder
technique(s)
HPLC: suitable
color
white
mp
128 (dec.) (lit.)
solubility
water: 50 mg/mL, clear, colorless to faintly yellow
cation traces
K: 8.4-10.8% (anhydrous)
storage temp.
room temp
SMILES string
[K+].[H]O[H].OC[C@H]1O[C@@H](S\C(CC=C)=N\OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
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
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.
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signalword
Warning
hcodes
Hazard Classifications
Skin Sens. 1
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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