百科

[(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate

CAS号：101011-06-7

英文名：[(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate

分子式

C31H53N4O9P

熔点

密度

分子量

656.748

沸点

溶解度

信号词

危险品标志

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基本信息

中文名称

[(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate

英文名称

[(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate

中文别名

英文别名

5\'-Thymidylic acid,3\'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate),dihydroxide,bis(inner salt)

CAS号

101011-06-7

分子式

C31H53N4O9P

分子量

656.748

精确质量

656.355

PSA

172.62

LOGP

3.9194

合成路线

101011-04-5

mono(1-decyl-4-(5-(((2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)oxy)-5-oxopentyl)-1,4-diazabicyclo[2.2.2]octane-1,4-diium) monochloride

101011-06-7

[(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate

上游原料

1-{4-[(2R,3S,5R)-2-Hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxycarbonyl]-butyl}-4-aza-1-azonia-bicyclo[2.2.2]octane; chloride

101011-04-5

mono(1-decyl-4-(5-(((2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)oxy)-5-oxopentyl)-1,4-diazabicyclo[2.2.2]octane-1,4-diium) monochloride

7791-71-1

5’-O-三苯甲基胸苷

101010-88-2

(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl 5-chloropentanoate

上游原料

三乙烯二胺 5-氯代戊酰氯 1-{4-[(2R,3S,5R)-2-Hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxycarbonyl]-butyl}-4-aza-1-azonia-bicyclo[2.2.2]octane; chloride mono(1-decyl-4-(5-(((2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)oxy)-5-oxopentyl)-1,4-diazabicyclo[2.2.2]octane-1,4-diium) monochloride 5’-O-三苯甲基胸苷 (2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl 5-chloropentanoate