75725-02-9 ((4-{[(1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acid)

快速询单

结构式：

4-{[(1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acidMOL文件

CAS号：

75725-02-9

英文名称：

4-{[(1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acid

分子式：

C₁₅H₁₆Cl₂N₂O₈

分子量：

423.202142715454

4-{[(1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acid(75725-02-9)名称与标识符

名称

英文别名：

4-{[(1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acid;4-[(1R,2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid;Succinic acid hydrogen 1-[(2R,3R)-3-(4-nitrophenyl)-2-(dichloroacetylamino)-1-hydroxypropan-3-yl] ester;Butanedioic acid, mono(2-((dichloroacetyl)amino)-3-hydroxy-1-(4-nitrophenyl)propyl) ester, (R-(R*,R*))-;DTXSID70226619;75725-02-9;VDKRBXTUCASQRA-ZWNOBZJWSA-N;

标识符

InChIKey：

VDKRBXTUCASQRA-ZWNOBZJWSA-N

Inchi：

1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-20)13(27-12(23)6-5-11(21)22)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,20H,5-7H2,(H,18,24)(H,21,22)/t10-,13-/m1/s1

SMILES：

ClC(C(N[C@H](CO)[C@@H](C1C=CC(=CC=1)[N+](=O)[O-])OC(CCC(=O)O)=O)=O)Cl

4-{[(1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acid(75725-02-9)物化性质

计算特性

精确分子量 : 422.0283709g/mol
氢键供体数量 : 3
氢键受体数量 : 8
可旋转化学键数量 : 10
同位素质量 : 422.0283709g/mol
重原子数量 : 27
复杂度 : 546
同位素原子数量 : 0
确定原子立构中心数量 : 2
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.1
拓扑分子极性表面积 : 159Å²

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960化工网为您提供4-{[(1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acid专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.75725-02-9,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:75725-02-9 国际站:75725-02-9

75725-02-9 ((4-{[(1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acid)

4-{[(1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acid(75725-02-9)名称与标识符

名称

标识符

4-{[(1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acid(75725-02-9)物化性质

计算特性

4-{[(1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acid(75725-02-9)相关文献

目录