Products 534-69-0

CAS 534-69-0 is the registry number for (E/Z)-Sinigrin (free base). Offered by: MedChemExpress. Available pack sizes: Get quote.

(E/Z)-Sinigrin (free base)

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Variants: 1

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[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate (CAS 534-69-0) is a chemical compound with the molecular formula C10H17NO9S2 and a molecular weight of 359.4 g/mol. IUPAC name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate. InChIKey: PHZOWSSBXJXFOR-PTGZALFTSA-N.

Identity
Molecular formula	C₁₀H₁₇NO₉S₂
Molecular weight	359.4 g/mol
IUPAC name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate
InChIKey	PHZOWSSBXJXFOR-PTGZALFTSA-N
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