3-羧基-5-磷羧基-1,2,3,4-四氢异喹啉
- 中文名称:
- 3-羧基-5-磷羧基-1,2,3,4-四氢异喹啉
- 中文别名:
- 3-羧基-5-磷羧基-1,2,3,4-四氢异喹啉;
N-[2-(4-hydroxy-3-iodanylphenyl)ethyl]-6-[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]hexanamide
- 英文名称:
- Hexanamide,6-[4-[1-ethyl-2-(4-hydroxyphenyl)-1-butenyl]phenoxy]-N-[2-[4-hydroxy-3-(iodo-125I)phenyl]ethyl]-,(E)- (9CI)
- 英文别名:
- N-[2-(4-hydroxy-3-iodanylphenyl)ethyl]-6-[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]hexanamide;
N-(4'-hydroxy-<3'-125I>iodophenethyl)-6-(4-O-diethylstilbestyryl)hexanamide;
Hexanamide,6-(4-(1-ethyl-2-(4-hydroxyphenyl)-1-butenyl)phenoxy)-N-(2-(4-hydroxy-3-(iodo-125I)phenyl)ethyl)-,(E);
Hipdsha;
N-(4'-Hydroxy-3'-iodophenethyl)-6-(4-O-diethylstilbestryl)hexanamide;
N-(4'-Hydroxy-3'-(125I)iodophenethyl)-6-(4-O-diethylstilbestryl)hexanamide
- CAS No.:
- 140683-97-2
- 分 子 式:
-
C32H38INO4
- 分 子 量:
- 0
- 精确分子量:
- 625.18500
- PSA:
- 82.28000
- InChI:
- The Key: MJKWBAVJMPZEJN-HMIJFBHYSA-N3
- 分子结构式:
-

- SDS:
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3-羧基-5-磷羧基-1,2,3,4-四氢异喹啉 物化性质
- 密度:
- 1.333g/cm3
- 折射率:
- 1.611
3-羧基-5-磷羧基-1,2,3,4-四氢异喹啉 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):8.5
2.氢键供体数量:3
3.氢键受体数量:4
4.可旋转化学键数量:14
5.互变异构体数量:30
6.拓扑分子极性表面积:78.8
7.重原子数量:38
8.表面电荷:0
9.复杂度:712
10.同位素原子数量:1
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:1