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结构：CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(O)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
HCID178476355

6-Chloro-2-hydroxy-9-(2',3',5'-tri-O-acetyl-b-D-ribofuranosyl)purine

[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate

C16H17ClN4O8428.8 g/mol
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IDENTITY

结构与身份

标准 SMILES
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(O)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
UDPLUTIBYLKPII-SDBHATRESA-N
分子式
C16H17ClN4O8
平均分子量
428.8 g/mol
单同位素质量
428.0734912

COMPUTED

结构计算性质

已同步
XLogP
-0.5
极性表面积
145 Ų
氢键供体
1
氢键受体
9
可旋转键
8
重原子
29
形式电荷
0
复杂度
854

ALIASES

名称与别名

共 17 条
161923-50-86-Chloro-2-hydroxy-9-(2',3',5'-tri-O-acetyl-b-D-ribofuranosyl)purine6-Chloro-2-hydroxy-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)purine[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-chloro-2-oxo-1H-purin-9(2H)-yl)tetrahydrofuran-3,4-diyl diacetateorb1907927SCHEMBL5492975TNU1077UDPLUTIBYLKPII-SDBHATRESA-N[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(6-chloro-2-oxo-2,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methyl acetateNC04527DA-70296H633656-Chloro-2-hydroxy-9-(2',3',5'-tri-O-acetyl-?-D-ribofuranosyl)purine6-chloro-2-hydroxy-9-(2,3,5-tri-o-acetyl-beta-d-ribofuranosyl)-purine6-chloro-2-hydroxy-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)purine6-CHLORO-2-HYDROXY-9-(2,3,5-TRI-O-ACETYL)-BETA-D-RIBOFURANOSYL-9H-PURINE

REACTIONS

参与反应

1 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂