3'-O-t-butyldimethylsilyl-5'-O-dimethoxytrityl-1-[5-methyl-4-triazolylpyrimidin-2(1H)-onyl]-β-D-2'-deoxyriboside | 80971-34-2

分子结构分类

有机化合物 - 苯类化合物 - 三苯基化合物

中文名称

——

中文别名

——

英文名称

3'-O-t-butyldimethylsilyl-5'-O-dimethoxytrityl-1-[5-methyl-4-triazolylpyrimidin-2(1H)-onyl]-β-D-2'-deoxyriboside

英文别名

3'-O-(tert-butyldimethylsilyl)-5'-O-(4,4'-dimethoxytrityl)-4-[1,2,4]triazolothymidine；1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one

3'-O-t-butyldimethylsilyl-5'-O-dimethoxytrityl-1-[5-methyl-4-triazolylpyrimidin-2(1H)-onyl]-β-D-2'-deoxyriboside化学式

CAS

80971-34-2

化学式

C₃₉H₄₇N₅O₆Si

mdl

——

分子量

709.918

InChiKey

PGYZGDPGCVMRED-BMPTZRATSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

781.7±70.0 °C(Predicted)
密度：

1.19±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

6.84
重原子数：

51
可旋转键数：

13
环数：

6.0
sp3杂化的碳原子比例：

0.38
拓扑面积：

110
氢给体数：

0
氢受体数：

8

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
——	5'-O-(4,4'-dimethoxytrityl)-3'-O-(t-butyldimethylsilyl)-2'-deoxythymidine	80971-33-1	C₃₇H₄₆N₂O₇Si	658.867
保护胸苷	5'-O-(4-4'-dimethoxytrityl)thymidine	40615-39-2	C₃₁H₃₂N₂O₇	544.604
beta-胸苷	thymidine	146183-25-7	C₁₀H₁₄N₂O₅	242.232

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	3'-O-(tert-butyldimethylsilyl)-5'-O-(4,4'-dimethoxytrityl)-2'-deoxy-5-methylcytidine	80971-35-3	C₃₇H₄₇N₃O₆Si	657.882
——	1-[(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(tert-butyl-dimethyl-silanyloxy)-tetrahydro-furan-2-yl]-4-(6-hydroxy-hexylamino)-5-methyl-1H-pyrimidin-2-one	125421-51-4	C₄₃H₅₉N₃O₇Si	758.043
——	1-{O4-[3'-O-(tert-butyldimethylsilyl)-5'-O-(4,4'-dimethoxytrityl)thymidyl]}-7-{O4-[3'-O-(tert-butyldimethylsilyl)-5'-O-(4,4'-dimethoxytrityl)thymidyl]}heptane	1396763-87-3	C₈₁H₁₀₄N₄O₁₄Si₂	1413.91
——	5'-O-dimethoxytrityl-3'-O-t-butyldimethylsilyl-O⁴-(hydroxyheptyl)thymidine	1396763-85-1	C₄₄H₆₀N₂O₈Si	773.054
——	4-Oxo-pentanoic acid 6-{1-[(2R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(tert-butyl-dimethyl-silanyloxy)-tetrahydro-furan-2-yl]-5-methyl-2-oxo-1,2-dihydro-pyrimidin-4-ylamino}-hexyl ester	135431-62-8	C₄₈H₆₅N₃O₉Si	856.144
——	5'-O-dimethoxytrityl-3'-O-t-butyldimethylsilyl-O⁴-(hydroxybutyl)thymidine	1396763-84-0	C₄₁H₅₄N₂O₈Si	730.974
——	1-{O4-[3'-O-(tert-butyldimethylsilyl)-5'-O-(4,4'-dimethoxytrityl)thymidyl]}-4-{O4-[3'-O-(tert-butyldimethylsilyl)-5'-O-(4,4'-dimethoxytrityl)thymidyl]}butane	1396763-86-2	C₇₈H₉₈N₄O₁₄Si₂	1371.83
——	3'-O-(tert-butyldimethylsilyl)-5'-O-(4,4'-dimethoxytrityl)-O4-(phenoxyacetyloxybutyl)thymidine	1396763-92-0	C₄₉H₆₀N₂O₁₀Si	865.108
——	3'-O-(tert-butyldimethylsilyl)-5'-O-(4,4'-dimethoxytrityl)-O4-(phenoxyacetyloxyheptyl)thymidine	1396763-93-1	C₅₂H₆₆N₂O₁₀Si	907.189
——	3'-O-t-butyldimethylsilyl-5'-O-dimethoxytrityl-1-[4-(N,N-dimethylguanidine)-5-methylpyrimidin-2(1H)-onyl]-β-D-2'-deoxyriboside	328311-90-6	C₄₀H₅₃N₅O₆Si	727.976
——	3'-O-t-butyldimethylsilyl-5'-O-dimethoxytrityl-1-[5-methyl-4-(4-nitrobenzoyl)guanidinepyrimidin-2(1H)-onyl]-β-D-2'-deoxyriboside	328312-06-7	C₄₅H₅₂N₆O₉Si	849.028
——	5'-O-(4,4'-dimethoxytrityl)-O4-(phenoxyacetyloxybutyl)thymidine	1396763-94-2	C₄₃H₄₆N₂O₁₀	750.846
——	6-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]amino]hexyl 4-oxopentanoate	125421-52-5	C₄₂H₅₁N₃O₉	741.882
——	5'-O-(4,4'-dimethoxytrityl)-O4-(phenoxyacetyloxyheptyl)thymidine	1396763-95-3	C₄₆H₅₂N₂O₁₀	792.926
——	5'-O-dimethoxytrityl-1-[5-methyl-4-(4-nitrobenzoyl)guanidinepyrimidin-2(1H)-onyl]-β-D-2'-deoxyriboside	328312-07-8	C₃₉H₃₈N₆O₉	734.766
——	5'-O-dimethoxytrityl-1-[4-guanidine-5-methylpyrimidin-2(1H)-onyl]-β-D-2'-deoxyriboside	328311-92-8	C₃₂H₃₅N₅O₆	585.66
——	5'-O-dimethoxytrityl-1-[4-(N,N-dimethylguanidine)-5-methylpyrimidin-2(1H)-onyl]-β-D-2'-deoxyriboside	328311-94-0