(−)-Sinigrin hydrate, ≥99%

Name: (−)-Sinigrin hydrate, ≥99%
Brand: Vaqora Chemicals
SKU: VQ-003225

About (−)-Sinigrin hydrate, ≥99%

Listed under CAS 3952-98-5, (−)-Sinigrin hydrate is a molecular biology reagent available from Vaqora Chemicals with a typical assay of ≥99%. The compound has the formula C10H17NO9S2, corresponding to a molecular weight of 359.4 g/mol. Systematically, it is named [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate. It is also known as Myronate or Sinigrin.

It is supplied as white to off-white powder or crystals. Reported physical data include a melting point of 128 (dec.). Store in a tightly closed container in a cool, dry and well-ventilated place. It carries the GHS signal word “Warning” with 4 hazard statements. Review the Safety Data Sheet before use.

Key uses span electrophoresis, DNA/RNA workflows and protein analysis. Typical end-use sectors are academic and industrial research and diagnostics and biotechnology.

We offer (−)-Sinigrin hydrate in 100 mg, 250 mg and 1 g packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

Electrophoresis
DNA/RNA workflows
Protein analysis

Industries

Specifications & identifiers

Chemical identifiers
Product name	(−)-Sinigrin hydrate, ≥99%
Catalogue No.	VQ-003225
CAS Number	3952-98-5
IUPAC name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate
Molecular formula	C₁₀H₁₇NO₉S₂
Molecular weight	359.4 g/mol
Exact mass	359.0345
Purity / assay	≥99%
HSN code	29389090
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
PubChem CID	6911854

Physical properties
Physical form	Crystalline
Appearance	White to off-white powder or crystals
Melting point	128 (dec.)
LogP (XLogP3)	-1.1
H-bond donors / acceptors	5 / 11
TPSA	200 Å²
Synonyms	Myronate, Sinigrin, Myronic acid, Allyl glucosinolate, propenyl glucosinolate, .beta.-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-3-butenimidate], 1-Thio-b-D-glucopyranose 1-[N-(sulfooxy)-3-butenimidate], 9CI, beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)-3-butenimidate)

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H315Causes skin irritation
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P271, P272, P280, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P332 + P317, P333 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of (−)-Sinigrin hydrate, ≥99%?

The CAS Registry Number of (−)-Sinigrin hydrate, ≥99% is 3952-98-5. It is also known as Myronate, Sinigrin, Myronic acid.

What is the molecular formula and molecular weight of (−)-Sinigrin hydrate, ≥99%?

(−)-Sinigrin hydrate, ≥99% has the molecular formula C10H17NO9S2 and a molecular weight of 359.4 g/mol. Its IUPAC name is [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate.

Which grade and pack sizes of (−)-Sinigrin hydrate, ≥99% can I order?

We supply (−)-Sinigrin hydrate, ≥99% in (≥99%) grade, in 100 mg, 250 mg, 1 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with (−)-Sinigrin hydrate, ≥99%?

Yes. Every lot of (−)-Sinigrin hydrate, ≥99% is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can (−)-Sinigrin hydrate, ≥99% be shipped internationally?

Yes. (−)-Sinigrin hydrate, ≥99% is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.