21973-56-8
中文名称
芝麻菜苷
英文名称
1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate]
CAS
21973-56-8
分子式
C12H23NO9S3
分子量
421.51
MOL 文件
21973-56-8.mol
21973-56-8 结构式
基本信息
中文别名
芝麻菜苷 英文别名
Ccris 9054glucoerucin
GLUCOERUCIN(P)
GLUCOERUCIN(RG)
glucoerucin(1-)
Einecs 244-689-8
[1-[(Sulfooxy)imino]-5-(methylthio)pentyl]-1-thio-β-D-glucopyranoside
1-S-[1-[(Sulfooxy)imino]-5-(methylthio)pentyl]-1-thio-β-D-glucopyranose
1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate]
β-D-Glucopyranose, 1-thio-, 1-[5-(methylthio)-N-(sulfooxy)pentanimidate]
物理化学性质
密度1.68±0.1 g/cm3(Predicted)
酸度系数(pKa)-2.91±0.18(Predicted)
InChIInChI=1/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/b13-8+/t7-,9-,10+,11-,12+/s3
InChIKeyGKUMMDFLKGFCKH-OQSPNCFYNA-N
SMILES[C@@H]1([C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)S/C(=N/OS(=O)(=O)O)/CCCCSC |&1:0,1,3,4,6,r|