S1647

(−)-Sinigrin hydrate

≥98% (HPLC), from horseradish

• Fórmula empírica (notación de Hill): C₁₀H₁₆KNO₉S₂ · xH₂O
• Número de CAS: 3952-98-5
• Peso molecular: 397.46 (anhydrous basis)
• MDL number: MFCD00149447
• UNSPSC Code: 12352201
• PubChem Substance ID: 24899488
• NACRES: NA.25

Propiedades

• 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

Descripción

Biochem/physiol Actions

A β-D-thioglucopyranoside occurring in black mustard seeds and horseradish root. Substrate for thioglucosidase.

Other Notes

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Información de seguridad

• pictograms: GHS07
• signalword: Warning
• hcodes: H317
• pcodes: P261 - P272 - P280 - P302 + P352 - P333 + P313 - P362 + P364
• Hazard Classifications: Skin Sens. 1
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)