HCID490388

1-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-5-(1-azido-2-iodoethyl)uracil

5-(1-azido-2-iodoethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione

C11H16IN5O4409.18 g/mol

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IDENTITY

结构与身份

标准SMILES: [N-]=[N+]=NC(CI)c1cn(CCC(CO)CO)c(=O)[nH]c1=O
InChIKey: WSRAALHLSBBWFK-UHFFFAOYSA-N
分子式: C11H16IN5O4
平均分子量: 409.18 g/mol
单同位素质量: 409.0247

COMPUTED

结构计算性质

已同步

XLogP: 0.5
极性表面积: 104 Å²
氢键供体: 3
氢键受体: 6
可旋转键: 8
重原子: 21
形式电荷: 0
复杂度: 473

ALIASES

名称与别名

共 5 条

CHEMBL131746WSRAALHLSBBWFK-UHFFFAOYSA-N1-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-5-(1-azido-2-iodoethyl)uracil5-(1-azido-2-iodo-ethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione5-(1-Azido-2-iodoethyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]-2,4(1H,3H)-pyrimidinedione

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07589077B2

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08227594B2

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