HCID3653476

C16H16ClIN4O7

[3,4-diacetyloxy-5-(6-chloro-2-iodopurin-9-yl)oxolan-2-yl]methyl acetate

C16H16ClIN4O7538.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)OCC1OC(n2cnc3c(Cl)nc(I)nc32)C(OC(C)=O)C1OC(C)=O
InChIKey: BYOJIJDSBSWKKE-UHFFFAOYSA-N
分子式: C16H16ClIN4O7
平均分子量: 538.7 g/mol
单同位素质量: 537.97522

COMPUTED

结构计算性质

等待补全

XLogP: 1.3
极性表面积: 132 Å²
氢键供体: 0
氢键受体: 10
可旋转键: 8
重原子: 29
形式电荷: 0
复杂度: 659

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

C16H16ClIN4O7SCHEMBL11206016-Chloro-2-iodo-9-(2'',3'',5''-tri-o-acetyl-beta-D-ribofuranosyl)purine[3,4-diacetoxy-5-(6-chloro-2-iodo-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate

REACTIONS

相关反应

8 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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