ChemicalBook--->CAS DataBase List--->3952-98-5

3952-98-5

3952-98-5 Structure

3952-98-5 Structure
IdentificationBack Directory
[Name]

SINIGRIN
[CAS]

3952-98-5
[Synonyms]

SINIGRIN
Sinigrine
Ccris 3715
SINOGROSIDE
Mustard seed
sinigrin(1-)
(-)-Sinigrin
SINIGRIN hplc
GLUCOSINOLATE
beta-d-siumsal
Einecs 223-545-8
SINIGRIN, NATURAL
SINIGRIN WITH HPLC
POTASSIUM MYRONATE
allylglucosinolate
Sinigrin Potassium
Sinigrin Hydrate>
(-)-Sinigrin hydrate
2-propenylglucosinolate
Sinigrin potassium salt
PROP-2-ENYLGLUCOSINOLATE
(-)-sinigrin monohydrate
Allyl glucosinolate potassium
glucosideofallylisothiocyanate
(-)-SINIGRIN HYDRATE FROM HORSERADIS
(-)-Sinigrin hydrate from horseradish
Sinigrin hydrate, 98%, from Brassica juncea (L.) Czern.
1-Thio-β-D-glucopyranose 1-[N-(potassiosulfooxy)-3-buteneimidate]
1-Thio-β-D-glucopyranose 1-[N-(potassiooxysulfonyloxy)-3-buteneimidate]
potassium 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate
beta-d-glucopyranose,1-thio-,1-(n-(sulfooxy)-3-butenimidate),monopotassium
1-Thio-beta-D-glucopyranose 1-[N-(sulfooxy)-3-butenimidate] potassium salt
glucopyranose,1-thio-,1-(3-butenohydroximate)no-(hydrogensulfate),monopotas
b-D-Glucopyranose, 1-thio-,1-[N-(sulfooxy)-3-butenimidate], potassium salt (1:1)
β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-3-butenimidate], potassium salt (1:1)
beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)-3-butenimidate), monopotassium salt (9ci)
Glucopyranose, 1-thio-, 1-(3-butenohydroximate) no-(hydrogensulfate), monopotassium salt, beta-D-
Glucopyranose, 1-thio-, 1-(3-butenohydroximate) no-(hydrogen sulfate), monopotassium salt, beta-D- (8ci)
[EINECS(EC#)]

223-545-8
[Molecular Formula]

C10H16KNO9S2
[MDL Number]

MFCD00006616
[MOL File]

3952-98-5.mol
[Molecular Weight]

397.46
Chemical PropertiesBack Directory
[Melting point ]

128 (dec.)(lit.)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White
[optical activity]

[α]20/D 17±1°, c = 1% in H2O
[Water Solubility ]

almost transparency
[Merck ]

14,8545
[Stability:]

Hygroscopic
[LogP]

1.049 (est)
[CAS DataBase Reference]

3952-98-5
Safety DataBack Directory
[Safety Statements ]

24/25
[WGK Germany ]

3
[RTECS ]

LZ5778000
[HS Code ]

29389090
Hazard InformationBack Directory
[Uses]

Sinigrin, a glucosinolate, is used as a systrate to identify, differentiate and characterize myrosinase(s)/thioglucoside glucohydrolase(s)/thioglucosidase(s). Sinigrin is used as a reference material in procedures for the isolation and identification of glucosinolates.
[Uses]

Sinigrine, is a glucosinolate which is found naturally in Cruciferae including the genus Brassica. When enzymatically hydrolysed, Sinigrine yields isothiocyanates and give a pungent taste. Both Sinigrine, and isothiocyanates, have been shown to have anticancer activity as well as antifungal and antibacterial properties.
[Definition]

ChEBI: An alkenylglucosinolate that is the conjugate base of sinigrin.
[Biochem/physiol Actions]

A β-D-thioglucopyranoside occurring in black mustard seeds and horseradish root. Substrate for thioglucosidase.
Spectrum DetailBack Directory
[Spectrum Detail]

SINIGRIN(3952-98-5)1HNMR
SINIGRIN(3952-98-5)IR1
SINIGRIN(3952-98-5)Raman
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