Name: 8-Bromo-5'-O-(4-cyanobenzyl)-2',3'-O-isopropylidene adenosine
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212728800
Cas No:1134156-53-8
常用名:8-Bromo-5'-O-(4-cyanobenzyl)-2',3'-O-isopropylidene adenosine
常用名:8-Bromo-5'-O-(4-cyanobenzyl)-2',3'-O-isopropylidene adenosine
IUPAC:4-({[(3aR,4R,6R,6aR)-6-(6-amino-8-bromo-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methoxy}methyl)benzonitrile
IUPAC:4-({[(3aR,4R,6R,6aR)-6-(6-amino-8-bromo-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methoxy}methyl)benzonitrile
InChI key:XSPCSNCZRVWYLT-NVQRDWNXSA-N

分子式:C21H21BrN6O4
分子量:501.341
氢键供体数 (HBD):1
氢键受体数 (HBA):9
LogP:2.8992236
SMILES:CC1(C)O[C@@H]2[C@@H](COCc3ccc(cc3)C#N)O[C@H]([C@@H]2O1)n1c(Br)nc2c(N)ncnc12
SMILES:CC1(C)O[C@@H]2[C@@H](COCc3ccc(cc3)C#N)O[C@H]([C@@H]2O1)n1c(Br)nc2c(N)ncnc12

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