S-((2R,3S,4S,6S)-6-((((2S,3S,4S,5R,6S)-5-(((2S,4S,5S)-5-(ethylamino)-4-methoxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(((4R,9S,9aS,10R)-4-hydroxy-10-((methoxycarbonyl)amino)-11-oxo-4,9-dihydro-2H-9a,4-propanonaphtho[2,3-b]thiophen-9-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)amino)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl) 4-(((2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzothioate

S-((2R,3S,4S,6S)-6-((((2S,3S,4S,5R,6S)-5-(((2S,4S,5S)-5-(ethylamino)-4-methoxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(((4R,9S,9aS,10R)-4-hydroxy-10-((methoxycarbonyl)amino)-11-oxo-4,9-dihydro-2H-9a,4-propanonaphtho[2,3-b]thiophen-9-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)amino)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl) 4-(((2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzothioate 基本信息
CAS号 122470-58-0 分子式 C54H74IN3O21S2
分子量 1292.21000 精确质量  1291.33000
PSA  359.04000 LogP  3.57640

等价的CAS号:

122470-58-0,125276-49-5,128050-91-9
目录

基本信息 展开↓

CAS号:
122470-58-0
3D弹球模型:
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分子式:
C54H74IN3O21S2
分子量:
1292.21000
英文名称:
S-((2R,3S,4S,6S)-6-((((2S,3S,4S,5R,6S)-5-(((2S,4S,5S)-5-(ethylamino)-4-methoxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(((4R,9S,9aS,10R)-4-hydroxy-10-((methoxycarbonyl)amino)-11-oxo-4,9-dihydro-2H-9a,4-propanonaphtho[2,3-b]thiophen-9-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)amino)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl) 4-(((2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzothioate
英文别名:
S-((2R,3S,4S,6S)-6-((((2S,3S,4S,5R,6S)-5-(((2S,4S,5S)-5-(ethylamino)-4-methoxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(((4R,9S,9aS,10R)-4-hydroxy-10-((methoxycarbonyl)amino)-11-oxo-4,9-dihydro-2H-9a,4-propanonaphtho[2,3-b]thiophen-9-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)amino)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl) 4-(((2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzothioate
精确分子量/精确质量:
1291.33000
极性分子表面积/PSA:
359.04000
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: XXTHLYVEMKYYDA-PGGSGBKQSA-N
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