9-[2-O-acetyl-3-O-benzyl-5-O-(methanesulfonyl)-4-C-[[(methanesulfonyl)oxy]methyl]-α-L-threo-pentofuranosyl]-6-N-benzoyladenine | 410076-94-7

分子结构分类

有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷

中文名称

——

中文别名

——

英文名称

9-[2-O-acetyl-3-O-benzyl-5-O-(methanesulfonyl)-4-C-[[(methanesulfonyl)oxy]methyl]-α-L-threo-pentofuranosyl]-6-N-benzoyladenine

英文别名

9-[2-O-acetyl-3-O-benzyl-5-O-methanesulfonyl-4-C-methanesulfonyloxymethyl-α-L-threo-pentofuranosyl]-6-N-benzoyladenine；9-(2-O-acetyl-3-O-benzyl-4-C-methanesulfonyloxymethyl-5-O-methanesulfonyl-β-D-xylofuranosyl)-N6-benzoyladenine；9-(2-O-Acetyl-3-O-benzyl-4-C-methanesulfonyloxymethyl-5-O-methanesulfonyl-beta-D-xylofuranosyl)-N6-benzoyladenine；[(2R,3R,4R)-2-(6-benzamidopurin-9-yl)-5,5-bis(methylsulfonyloxymethyl)-4-phenylmethoxyoxolan-3-yl] acetate

9-[2-O-acetyl-3-O-benzyl-5-O-(methanesulfonyl)-4-C-[[(methanesulfonyl)oxy]methyl]-α-L-threo-pentofuranosyl]-6-N-benzoyladenine化学式

CAS

410076-94-7

化学式

C₂₉H₃₁N₅O₁₁S₂

mdl

——

分子量

689.724

InChiKey

JDJJWOSDDSZLDV-PRVBGKCFSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

1
重原子数：

47
可旋转键数：

14
环数：

5.0
sp3杂化的碳原子比例：

0.34
拓扑面积：

221
氢给体数：

1
氢受体数：

14

上下游信息

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	9-(2-O-acetyl-3-O-benzyl-5-O-(methanesulfonyl)-4-C-[[(methanesulfonyl)oxy]methyl]-α-L-erythro-pentofuranosyl)-6-N-benzoyladenine	410076-96-9	C₂₉H₃₁N₅O₁₁S₂	689.724
——	9-[3-O-benzyl-5-O-(methanesulfonyl)-4-C-[[(methanesulfonyl)oxy]methyl]-α-L-erythro-pentofuranosyl]-6-N-benzoyladenine	341536-48-9	C₂₇H₂₉N₅O₁₀S₂	647.687
——	9-(3-O-benzyl-5-O-(methanesulfonyl)-4-C-[[(methanesulfonyl)oxy]methyl]-α-L-threo-pentofuranosyl)-6-N-benzoyladenine	410076-95-8	C₂₇H₂₉N₅O₁₀S₂	647.687
——	(1S,3R,4S,7R)-7-benzyloxy-3-(6-N-benzoyladenin-9-yl)-2,5-dioxabicyclo[2.2.1]heptane	625111-39-9	C₂₆H₂₅N₅O₇S	551.58
——	(1S,3R,4S,7R)-1-(acetoxymethyl)-3-(6-N-benzoyladenin-9-yl)-7-benzyloxy-2,5-dioxabicyclo[2.2.1]heptane	410076-88-9	C₂₇H₂₅N₅O₆	515.525
——	9-(3-O-benzyl-5-O-(methanesulfonyl)-4-C-[[(methanesulfonyl)oxy]methyl]-2-O-trifluormethanesulfonyl-α-L-threo-pentofuranosyl)-6-N-benzoyladenine	625111-37-7	C₂₈H₂₈F₃N₅O₁₂S₃	779.75
——	(1R,3R,4S,7R)-3-(6-N-benzoyladenin-9-yl)-7-benzyloxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptane	303183-65-5	C₂₅H₂₃N₅O₅	473.488
——	(1S,3R,4S,7R)-1-[[(4,4'-dimethoxytrityl)oxy]methyl]-7-hydroxy-3-(6-N-benzoyladenin-9-yl)-2,5-dioxabicyclo[2.2.1]heptane	341536-51-4	C₃₉H₃₅N₅O₇	685.736
——	(1R,3R,4S,7R)-3-(6-N-benzoyladenin-9-yl)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptane	341536-49-0	C₁₈H₁₇N₅O₅	383.363
——	9-[2-C-azido-3-O-benzyl-2-deoxy-4-C-methanesulfonyloxymethyl-5-O-methanesulfonyl-α-L-erythro-pentofuranosyl]-6-N-benzoyladenine	625111-41-3	C₂₇H₂₈N₈O₉S₂	672.7
——	(1S,3R,4S,7R)-3-(6-N-benzoyladenin-9-yl)-7-benzyloxy-1-methanesulfonyloxymethyl-5-trifluoroacetyl-2-oxa-5-azabicyclo[2.2.1]heptane	1067885-77-1	C₂₈H₂₅F₃N₆O₇S	646.604
——	(1S,3R,4S,7R)-3-(6-N-benzoyladenin-9-yl)-1-(4,4′-dimethoxytrityloxymethyl)-7-hydroxy-2-oxa-5-azabicyclo[2.2.1]heptane	1067885-82-8	C₃₉H₃₆N₆O₆	684.751
——	(1S,3R,4S,7R)-3-(6-N-benzoyladenin-9-yl)-7-hydroxy-1-methanesulfonyloxymethyl-5-trifluoroacetyl-2-oxa-5-azabicyclo[2.2.1]heptane	1067885-78-2	C₂₁H₁₉F₃N₆O₇S	556.479
——	(1S,3R,4S,7R)-3-(6-N-benzoyladenin-9-yl)-5-(4,4′-dimethoxytrityl)-1-(4,4′-dimethoxytrityloxymethyl)-7-hydroxy-2-oxa-5-azabicyclo[2.2.1]heptane	1513633-26-5	C₆₀H₅₄N₆O₈	987.124
——	(1S,3R,4S,7R)-3-(6-N-benzoyladenin-9-yl)-1-(4,4′-dimethoxytrityloxymethyl)-7-hydroxy-5-(pyren-1-yl)methyl-2-oxa-5-azabicyclo[2.2.1]heptane	1067885-84-0	C₅₆H₄₆N₆O₆	899.018
——	(1S,3R,4S,7R)-3-(6-N-benzoyladenin-9-yl)-1-(4,4′-dimethoxytrityloxymethyl)-7-hydroxy-5-(pyren-1-yl)acetyl-2-oxa-5-azabicyclo[2.2.1]heptane	1513633-33-4	C₅₇H₄₆N₆O₇	927.028
——	(1S,3R,4S,7R)-3-(6-N-benzoyladenin-9-yl)-1-benzoyloxymethyl-7-hydroxy-5-trifluoroacetyl-2-oxa-5-azabicyclo[2.2.1]heptane	1067885-80-6	C₂₇H₂₁F₃N₆O₆	582.496
——	(1S,3R,4S,7R)-3-(6-N-benzoyladenin-9-yl)-1-(4,4′-dimethoxytrityloxymethyl)-7-hydroxy-5-(pyren-1-yl)carbonyl-2-oxa-5-azabicyclo[2.2.1]heptane	1067885-86-2	C₅₆H₄₄N₆O₇	913.001
——	(1S,3R,4S,7R)-3-(6-N-benzoyladenin-9-yl)-7-[2-cyanoethoxy-(diisopropylamino)phosphinoxy]-1-(4,4′-dimethoxytrityloxymethyl)-5-(pyren-1-yl)methyl-2-oxa-5-azabicyclo[2.2.1]heptane	1067885-85-1	C₆₅H₆₃N₈O₇P	1099.24
——	(1S,3R,4S,7R)-3-(6-N-benzoyladenin-9-yl)-1-(4,4′-dimethoxytrityloxymethyl)-5-(9′-fluorenylmethoxycarbonyl)-7-hydroxy-2-oxa-5-azabicyclo[2.2.1]heptane	1418995-49-9	C₅₄H₄₆N₆O₈	906.995