5,10,15,20-四(4-碳甲氧基苯基)- 21H,23H-卟啉 | 127812-08-2
5,10,15,20-四(4-碳甲氧基苯基)- 21H,23H-卟啉
5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)porphyrin
127812-08-2
C52H38N4O12
910.8777
名称和标识符
MDL |
MFCD00191499 |
InChIKey |
GIHZJFIAJYZVFA-QURNHSOUSA-N |
Inchi |
1S/C52H38N4O12/c57-45(58)25-65-33-9-1-29(2-10-33)49-37-17-19-39(53-37)50(30-3-11-34(12-4-30)66-26-46(59)60)41-21-23-43(55-41)52(32-7-15-36(16-8-32)68-28-48(63)64)44-24-22-42(56-44)51(40-20-18-38(49)54-40)31-5-13-35(14-6-31)67-27-47(61)62/h1-24,53,56H,25-28H2,(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b49-37-,49-38-,50-39-,50-41-,51-40-,51-42-,52-43-,52-44- |
SMILES |
O(C([H])([H])C(=O)O[H])C1C([H])=C([H])C(=C([H])C=1[H])C1C2C([H])=C([H])C(=C(C3C([H])=C([H])C(=C([H])C=3[H])OC([H])([H])C(=O)O[H])C3=C([H])C([H])=C(C(C4C([H])=C([H])C(=C([H])C=4[H])OC([H])([H])C(=O)O[H])=C4C([H])=C([H])C(C(C5C([H])=C([H])C(=C([H])C=5[H])OC([H])([H])C(=O)O[H])=C5C([H])=C([H])C=1N5[H])=N4)N3[H])N=2 |c:25,103,t:71,97| |
别名信息
- 中文别名 -
- 5,10,15,20-四(4-碳甲氧基苯基)- 21H,23H-卟啉
- 5,10,15,20-四(4-羧基甲氧苯基)-21H,23H-卟吩
- 1-(4-氯苯基)-2-环丙基-1-丙酮
- 5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)porphyrin 5,10,15,20-四(4-羧基甲氧苯基)-21H,23H-卟吩
- 5,10,15,20-四(4-羧甲基甲氧基苯基)-21H,23H-卟吩
- 5,10,15,20-四(4-羧基甲氧苯基)-卟啉
- 5,10,15,20-四(4-羧基甲氧苯基) -21H,23H-卟吩
- 5,10,15,20-四(4-碳甲氧基苯基)- 21H,23H-卟啉
- 5,10,15,20-TETRAKIS(4-CARBOXYMETHYLOXYPHENYL)PORPHYRIN 5,10,15,20-四(4-羧基甲氧苯基)-21H,23H-卟吩
- 英文别名 -
- 5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)porphyrin
- 5,10,15,20-TETRAKIS(4-CARBOXYMETHYLOXYPHENYL)-21H,23H-PORPHINE
- 2-[4-[10,15,20-tris[4-(carboxymethoxy)phenyl]-21,24-dihydroporphyrin-5-yl]phenoxy]acetic acid
- Tetrakiscarboxymethyloxyphenylporphine
- 5,10,15,20-tetrakis[4-(carboxymethyleneoxy)phenyl]porphyrin
- 5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)-21H,23H-porphine
物化性质
实验特性
LogP |
4.71980 |
PSA |
242.42000 |
颜色与性状 |
未确定 |
溶解性 |
未确定 |
密度 |
1.4±0.1 g/cm3 |
计算特性
精确分子量 |
910.24900 |
氢键供体数量 |
6 |
氢键受体数量 |
14 |
可旋转化学键数量 |
16 |
重原子数量 |
68 |
复杂度 |
1440 |
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) |
8.7 |
互变异构体数量 |
2 |
表面电荷 |
0 |
拓扑分子极性表面积 |
244 |
参考资料
Reaxys RN |
4227522 |
Beilstein |
T162690 |