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Chemical structure of Sinigrin

GC39138

Sinigrin

Also known as potassium [(Z)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate

Sinigrin is a major glucosinolate present in plants of the Brassicaceae family, with anti-adipogenic effects

ChemicalCAS3952-98-5MW397.46FormulaC10H16KNO9S2
CAS number
3952-98-5
Molecular weight
397.46
Formula
C10H16KNO9S2
Solubility
Water： 125 mg/mL (314·50 mM)
InChIKey
QKFAFSGJTMHRRY-FVDOMRANSA-M
Catalogue number
GC39138
Brand
GLPBIO
Computed properties PubChem CID 23684362 · TPSA 203 Ų · H-bond donors 4 · H-bond acceptors 11
TPSA
203 Ų
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
23

SMILES C=CC/C(=N/OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.[K+]

Computed descriptors from PubChem (CID 23684362), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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