208986-26-9 ((2-[Hydroxy[18-(4-iodophenyl)octadecyloxy]phosphinyloxy]-N,N,N-trimethylethanaminium inner salt)

快速询单

结构式：

2-[Hydroxy[18-(4-iodophenyl)octadecyloxy]phosphinyloxy]-N,N,N-trimethylethanaminium inner saltMOL文件

CAS号：

208986-26-9

英文名称：

2-[Hydroxy[18-(4-iodophenyl)octadecyloxy]phosphinyloxy]-N,N,N-trimethylethanaminium inner salt

分子式：

C₂₉H₅₃INO₄P

分子量：

637.613662481308

2-[Hydroxy[18-(4-iodophenyl)octadecyloxy]phosphinyloxy]-N,N,N-trimethylethanaminium inner salt(208986-26-9)名称与标识符

名称

英文别名：

2-[Hydroxy[18-(4-iodophenyl)octadecyloxy]phosphinyloxy]-N,N,N-trimethylethanaminium inner salt;NM-404;18-(4-iodophenyl)octadecyl 2-(trimethylazaniumyl)ethyl phosphate;CLR-1401;131i-nm404;NM404;CHEMBL208375;SCHEMBL1265021;7EC9WBC6KF;CLR1401;IOPOFOSINE;Ethanaminium, 2-((hydroxy((18-(4-iodophenyl)octadecyl)oxy)phosphinyl)oxy)-N,N,N-trimethyl-, inner salt;Q27268149;18-(p-iodophenyl)octadecylphosphocholine;18-(p-iodophenyl)octadecyl phosphocholine;UNII-7EC9WBC6KF;ZOAIEFWMQLYMTF-UHFFFAOYSA-N;208986-26-9;

标识符

InChIKey：

ZOAIEFWMQLYMTF-UHFFFAOYSA-N

Inchi：

1S/C29H53INO4P/c1-31(2,3)25-27-35-36(32,33)34-26-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-28-21-23-29(30)24-22-28/h21-24H,4-20,25-27H2,1-3H3

SMILES：

IC1C=CC(=CC=1)CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C

2-[Hydroxy[18-(4-iodophenyl)octadecyloxy]phosphinyloxy]-N,N,N-trimethylethanaminium inner salt(208986-26-9)物化性质

计算特性

精确分子量 : 637.27569g/mol
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 24
同位素质量 : 637.27569g/mol
重原子数量 : 36
复杂度 : 542
同位素原子数量 : 0
确定原子立构中心数量 : 0
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） : 9.9
拓扑分子极性表面积 : 58.6Å²

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208986-26-9 ((2-[Hydroxy[18-(4-iodophenyl)octadecyloxy]phosphinyloxy]-N,N,N-trimethylethanaminium inner salt)

2-[Hydroxy[18-(4-iodophenyl)octadecyloxy]phosphinyloxy]-N,N,N-trimethylethanaminium inner salt(208986-26-9)名称与标识符

名称

标识符

2-[Hydroxy[18-(4-iodophenyl)octadecyloxy]phosphinyloxy]-N,N,N-trimethylethanaminium inner salt(208986-26-9)物化性质

计算特性

2-[Hydroxy[18-(4-iodophenyl)octadecyloxy]phosphinyloxy]-N,N,N-trimethylethanaminium inner salt(208986-26-9)相关文献

目录