SINIGRIN MONOHYDRATE ,64550-88-5 _Chemical Cloud Database

SINIGRIN MONOHYDRATE

Basic Information
Product Name：	SINIGRIN MONOHYDRATE
CAS：	64550-88-5
English Synonyms：	SINIGRIN MONOHYDRATE ; SINIGRIN POTASSIUM MONOHYDRATE ; SINIGRIN HYDRATE ; (-)-SINIGRIN HYDRATE ; (-)-SINIGRIN,MONOHYDRATE ; POTASSIUM MYRONATE MONOHYDRATE ; B-D-GLUCOPYRANOSE, 1-THIO-,1-[N-(SULFOOXY)-3-BUTENIMIDATE], MONOPOTASSIUM SALT, MONOHYDRATE, (Z)- (9CI)
MDL Number.：	MFCD00149447
H bond acceptor：	10
H bond donor：	4
Smile：	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.O.[K+]
InChi：	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
InChiKey：	InChIKey=IUBVMJHASFBYGW-WBMBWNLZSA-M
Property
Melting Point：	128 DEG DEG C (DEC)(LIT)/127°C
Comments：	ASSAY METHOD: =>99.0% (TLC) ASSAY METHOD: CALCULATED AS FREE ACID, QNMR BIOCHEM/PHYSIOL ACTIONS: A BETA-D-THIOGLUCOPYRANOSIDE OCCURRING IN BLACK MUSTARD SEEDS AND HORSERADISH ROOT. SUBSTRATE FOR THIOGLUCOSIDASE IMPURITIES: OPTICAL ACTIVITY: [ALPHA]/D -17.0+/-1 DEG, C = 1 IN H2O RTECS: LZ5778000 SHELF LIFE: LIMITED SHELF LIFE, EXPIRY DATE ON THE LABEL WGK: 3
Specification：	ANALYTICAL REFERENCE MATERIAL
Safety information
WGK Germany：	3

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