4-[3-[3-[2-cyanoethoxy-[(2R,4S,5R)-5-[(4,6-dihydroxy-4,6-dioxo-1,3,5,2,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxyphosphoryl]oxy-2-[4-(methylamino)-4-oxobutanoyl]oxypropoxy]propylcarbamoyl]-2-[6-(dimethylamino)-3-(dimethylazaniumyl)-3H-xanthen-9-yl]benzoate;4-[3-[3-[2-cyanoethoxy-[(2R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-ethyl-4-methoxyoxolan-3-yl]oxyphosphoryl]oxy-2-[4-(methylamino)-4-oxobutanoyl]oxypropoxy]propylcarbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-[3-[3-[[(2R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropoxy]propylcarbamoyl]benzoate;3-[[(2R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-ethyl-4-methoxyoxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

分子结构分类

有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸

中文名称

——

中文别名

——

英文名称

4-[3-[3-[2-cyanoethoxy-[(2R,4S,5R)-5-[(4,6-dihydroxy-4,6-dioxo-1,3,5,2,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxyphosphoryl]oxy-2-[4-(methylamino)-4-oxobutanoyl]oxypropoxy]propylcarbamoyl]-2-[6-(dimethylamino)-3-(dimethylazaniumyl)-3H-xanthen-9-yl]benzoate;4-[3-[3-[2-cyanoethoxy-[(2R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-ethyl-4-methoxyoxolan-3-yl]oxyphosphoryl]oxy-2-[4-(methylamino)-4-oxobutanoyl]oxypropoxy]propylcarbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-[3-[3-[[(2R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropoxy]propylcarbamoyl]benzoate;3-[[(2R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-ethyl-4-methoxyoxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

英文别名

——

4-[3-[3-[2-cyanoethoxy-[(2R,4S,5R)-5-[(4,6-dihydroxy-4,6-dioxo-1,3,5,2,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxyphosphoryl]oxy-2-[4-(methylamino)-4-oxobutanoyl]oxypropoxy]propylcarbamoyl]-2-[6-(dimethylamino)-3-(dimethylazaniumyl)-3H-xanthen-9-yl]benzoate;4-[3-[3-[2-cyanoethoxy-[(2R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-ethyl-4-methoxyoxolan-3-yl]oxyphosphoryl]oxy-2-[4-(methylamino)-4-oxobutanoyl]oxypropoxy]propylcarbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-[3-[3-[[(2R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropoxy]propylcarbamoyl]benzoate;3-[[(2R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-ethyl-4-methoxyoxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile化学式

CAS

——

化学式

C159H203N23O70P10

mdl

——

分子量

3866.2

InChiKey

JKCVSDIWHXOBRE-NMGSTFRYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6.15
重原子数：

262
可旋转键数：

86
环数：

21.0
sp3杂化的碳原子比例：

0.47
拓扑面积：

1210
氢给体数：

19
氢受体数：

77

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