Sinigrin potassium salt

Catalog Number	ACM3952985
CAS Number	3952-98-5
Synonyms	2-Propenylglucosinolate
Molecular Weight	397.5
InChI	InChI=1S/C10H17NO9S2.K/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);/q;+1/p-1/b11-6+;/t5-,7-,8+,9-,10+;/m1./s1
InChI Key	QKFAFSGJTMHRRY-OCFLFPRFSA-M
Melting Point	128 °C
Purity	95%+
Complexity	509
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Exact Mass	396.99035492
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	4
Isomeric 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+]
Monoisotopic Mass	396.99035492
PhysicalState	Powder
Rotatable Bond Count	7
Topological Polar Surface Area	203 Ų

Custom Q&A

What is the chemical formula of Sinigrin potassium salt?

The chemical formula of Sinigrin potassium salt is C10H17NO9S2.K.

What is the molecular weight of Sinigrin potassium salt?

The molecular weight of Sinigrin potassium salt is 397.46.

What are some synonyms for Sinigrin potassium salt?

Some synonyms for Sinigrin potassium salt include glucosideofallylisothiocyanate, potassium 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate, and SINIGRIN, NATURAL.

At what temperature does Sinigrin potassium salt melt?

Sinigrin potassium salt melts at 128 degrees Celsius.

How is Sinigrin potassium salt stored?

Sinigrin potassium salt is stored in a hygroscopic, -20°C freezer, under an inert atmosphere.

What is the solubility of Sinigrin potassium salt in DMSO, Methanol, and Water?

Sinigrin potassium salt is slightly soluble in DMSO and Methanol, and slightly soluble in Water.

What color is Sinigrin potassium salt in its solid form?

Sinigrin potassium salt is white in color in its solid form.

What are the safety statements for Sinigrin potassium salt?

The safety statements for Sinigrin potassium salt are 24/25.

What are some common uses of Sinigrin potassium salt?

Sinigrin potassium salt is used as a substrate to identify, differentiate, and characterize myrosinase/thioglucoside glucohydrolase/thioglucosidase enzymes. It is also used as a reference material in procedures for the isolation and identification of glucosinolates.

What biochemical and physiological actions does Sinigrin potassium salt have?

Sinigrin potassium salt is a β-D-thioglucopyranoside that occurs in black mustard seeds and horseradish root. It is a substrate for thioglucosidase enzymes and has been shown to have anticancer, antifungal, and antibacterial properties.

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