黑芥子硫苷酸钾水合物

CAS号
64550-88-5
CCD编号
CCD00073785
分子式
C10 H16 N O9 S2 . K . H2 O
分子量
415.479

基本信息

产品名称: 黑芥子硫苷酸钾水合物
CAS: 64550-88-5
中文同义词: 黑芥子硫苷酸钾水合物 ; 芥子甙单水合物
英文同义词: (-)-SINIGRIN,MONOHYDRATE ; POTASSIUM MYRONATE MONOHYDRATE ; (-)-SINIGRIN HYDRATE ; SINIGRIN POTASSIUM MONOHYDRATE ; SINIGRIN MONOHYDRATE ; B-D-GLUCOPYRANOSE, 1-THIO-,1-[N-(SULFOOXY)-3-BUTENIMIDATE], MONOPOTASSIUM SALT, MONOHYDRATE, (Z)- (9CI) ; SINIGRIN HYDRATE
MDL号: MFCD00149447
氢键受体数量: 10
氢键供体数量: 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

性质

熔点: 128 DEG DEG C (DEC)(LIT)/127°C
注解: 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
规格: ANALYTICAL REFERENCE MATERIAL

安全信息

WGK德国: 3

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