2-Cyanoethyl {5'-[3-((3'R)-3'-deoxythymidin-3'-yl)-2-oxopropyl]-5'-deoxythymidin-3'-yl}(3'-acetylthymidin-5'-O-yl)phosphinate | 202719-43-5

分子结构分类

有机化合物 - 核苷、核苷酸和类似物 - 核苷和核苷酸类似物

中文名称

——

中文别名

——

英文名称

2-Cyanoethyl {5'-[3-((3'R)-3'-deoxythymidin-3'-yl)-2-oxopropyl]-5'-deoxythymidin-3'-yl}(3'-acetylthymidin-5'-O-yl)phosphinate

英文别名

[(2R,3S,5R)-2-[[2-cyanoethoxy-[(2R,3S,5R)-2-[4-[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-oxobutyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate

2-Cyanoethyl {5'-[3-((3'R)-3'-deoxythymidin-3'-yl)-2-oxopropyl]-5'-deoxythymidin-3'-yl}(3'-acetylthymidin-5'-O-yl)phosphinate化学式

CAS

202719-43-5

化学式

C₃₈H₄₈N₇O₁₇P

mdl

——

分子量

905.81

InChiKey

RIKLFQQHWALKAZ-XTOLSNRXSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-2.5
重原子数：

63
可旋转键数：

19
环数：

6.0
sp3杂化的碳原子比例：

0.61
拓扑面积：

308
氢给体数：

4
氢受体数：

18

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	P-(2-cyano-ethyl)-thymidylyl-(3'->5')-O^3'-acetyl-thymidine	61891-99-4	C₂₅H₃₂N₅O₁₃P	641.529
——	[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[4-[(2S,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-oxobutyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate	202719-47-9	C₅₉H₆₆N₇O₁₉P	1208.18
——	[(2R,3S,5R)-2-[[2-cyanoethoxy-[(2S,3S,5R)-2-formyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate	1053528-16-7	C₂₅H₃₀N₅O₁₃P	639.513
——	[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[4-[(2S,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-oxobutyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-cyanoethoxy)phosphanyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate	202719-46-8	C₅₉H₆₆N₇O₁₈P	1192.18
——	3'-O-Acetyl-5'-[3-((3'R)-3'-deoxythymidin-3'-yl)-2-oxopropyl]-5'-deoxythymidine	202719-32-2	C₂₅H₃₂N₄O₁₀	548.55
——	2-Cyanoethyl {5'-[(E)-3-((3'R)-3-benzyloxymethyl-5'-O-tert-butyldimethylsilyl-3'-deoxythymidin-3'-yl)-2-oxopropylidene]-5'-deoxythymidin-3'-O-yl}(3'-acetylthymidin-5'-O-yl)phosphinate	202719-42-4	C₅₂H₆₈N₇O₁₈PSi	1138.21
——	2-Cyanoethyl (3'-O-acetylthymidin-5'-O-yl)[5'-O-(4,4'-dimethoxytrityl)thymidin-3'-O-yl]phosphinate	104495-24-1	C₄₆H₅₀N₅O₁₅P	943.901
——	[(2R,3S,5R)-2-[4-[(2S,3R,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)pyrimidin-1-yl]oxolan-3-yl]-3-oxobutyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate	202719-31-1	C₃₁H₄₆N₄O₁₁Si	678.812
——	(3'-O-Acetylthymidin-5'-O-yl)(2-cyanoethoxy)[5'-O-(4,4'-dimethoxytrityl)thymidin-3'-O-yl]phosphane	202719-41-3	C₄₆H₅₀N₅O₁₄P	927.902
——	3'-O-Acetyl-5'-{3-[(3'R)-5'-(4,4'-dimethoxytrityl)-3'-deoxythymidin-3'-yl]-2-oxopropyl}-5'-deoxythymidine	202719-44-6	C₄₆H₅₀N₄O₁₂	850.923
——	5'-{3-[(3'R)-5'-(4,4'-Dimethoxytrityl)-3'-deoxythymidin-3'-yl]-2-oxopropyl}-3'-O-[2-cyanoethoxy(diisopropylamino)phosphino]-5'-deoxythymidine	155193-99-0	C₅₃H₆₅N₆O₁₂P	1009.11
——	3'-O-acetylthymidine	21090-30-2	C₁₂H₁₆N₂O₆