methyl (2S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

methyl (2S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate 基本信息
CAS号 15401-60-2 分子式 C27H35NO12
分子量 565.56600 精确质量  565.21600
PSA  195.68000 LogP  -0.48040

基本信息 展开↓

CAS号:
15401-60-2
3D弹球模型:
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分子式:
C27H35NO12
分子量:
565.56600
英文名称:
methyl (2S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
英文别名:
methyl (2S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate;
methyl (2S,3R,4S)-4-{[(1R)-2-acetyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate
精确分子量/精确质量:
565.21600
极性分子表面积/PSA:
195.68000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: QISXROCIXKXUPS-OWVLCBNUSA-N

物化性质展开↓

密度:
1.5g/cm3
沸点:
821.6ºC at 760 mmHg
闪点:
450.7ºC
折射率:
1.65
蒸汽压:
1.42E-28mmHg at 25°C

合成路线查看所有的合成路线

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    重氮甲烷

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  • 137318-68-4

    6-O-Methylipecoside

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  • 137318-76-4

    7-O-Methylipecoside

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  • 15401-60-2

    methyl (2S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

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  • 73611-00-4

    6,7-Di-O-methylipecoside

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