HCID23545514

1-(cyclopropylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4methylthiophenyl)methyl]-1H-pyrazole

(2S,3R,4S,5S,6R)-2-[1-(cyclopropylmethyl)-5-methyl-4-[(4-methylsulfanylphenyl)methyl]pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C22H30N2O6S450.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn(CC3CC3)c2C)cc1
InChIKey: MEUZMBRAOOEZKS-JPVHLGFFSA-N
分子式: C22H30N2O6S
平均分子量: 450.6 g/mol
单同位素质量: 450.18245785

COMPUTED

结构计算性质

等待补全

XLogP: 1.9
极性表面积: 143 Å²
氢键供体: 4
氢键受体: 8
可旋转键: 8
重原子: 31
形式电荷: 0
复杂度: 576

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 5 条

SCHEMBL4362565MEUZMBRAOOEZKS-JPVHLGFFSA-N1-(cyclo-propylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4-methylthiophenyl)methyl]-1H-pyrazole1-(cyclopropylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4-methylthiophenyl)methyl]-1H-pyrazole1-(cyclopropylmethyl)-3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4methylthiophenyl)methyl]-1H-pyrazole

REACTIONS