HCID25233250

5'-[(carboethoxyethyl)methyamino]-5'-Deoxy-8-methyladenosine

ethyl 3-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propanoate

C17H26N6O5394.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CCN(C)C[C@H]1O[C@@H](n2c(C)nc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIKey: KIGRIWIGQVVTRP-IWCJZZDYSA-N
分子式: C17H26N6O5
平均分子量: 394.4 g/mol
单同位素质量: 394.19646795

COMPUTED

结构计算性质

已同步

XLogP: -1.1
极性表面积: 149 Å²
氢键供体: 3
氢键受体: 10
可旋转键: 8
重原子: 28
形式电荷: 0
复杂度: 542

ALIASES

名称与别名

共 4 条

SCHEMBL952287KIGRIWIGQVVTRP-IWCJZZDYSA-N5'-[(carboethoxyethyl)methyamino]-5'-Deoxy-8-methyladenosine5'-[(2-Carboethoxyethyl)methylamino]-5'-deoxy-8-methyladenosine

REACTIONS