HCID86654038

diethyl [1-hydroxy-4-(2-methyl-7-nitro-1-oxo-2,3-dihydro-1H-isoindol-4-yl)cyclohex-3-en-1-yl]phosphonate

4-(4-diethoxyphosphoryl-4-hydroxycyclohexen-1-yl)-2-methyl-7-nitro-3H-isoindol-1-one

C19H25N2O7P424.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOP(=O)(OCC)C1(O)CC=C(c2ccc([N+](=O)[O-])c3c2CN(C)C3=O)CC1
InChIKey: WYWQUHFULABJPD-UHFFFAOYSA-N
分子式: C19H25N2O7P
平均分子量: 424.4 g/mol
单同位素质量: 424.13993814

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 122 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 6
重原子: 29
形式电荷: 0
复杂度: 727

ALIASES

名称与别名

共 4 条

SCHEMBL2036302WYWQUHFULABJPD-UHFFFAOYSA-Ndiethyl [1-hydroxy-4-(2-methyl-7-nitro-1-oxo-2,3-dihydro-1H-isoindol-4-yl)cyclohex-3-en-1-yl]phosphonatediethyl[1-hydroxy-4-(2-methyl-7-nitro-1-oxo-2,3-dihydro-1H-isoindol-4-yl)cyclohex-3-en-1-yl]phosphonate

REACTIONS

参与反应

3 条

uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09096624B2

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

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uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08399433B2

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