rac all-trans 4-羟基视黄醛 | 18344-42-8
rac all-trans 4-羟基视黄醛
rac all-trans 4-Hydroxy Retinal
18344-42-8
C20H28O2
300.43512
名称和标识符
InChIKey |
CYVVUYORRQQAQE-ITCDGTHUSA-N |
Inchi |
InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,14,19,22H,11,13H2,1-5H3/b8-6+,10-9+,15-7-,16-12- |
SMILES |
O=C/C=C(\C=C\C=C(/C=C/C1=C(C)C(O)CCC1(C)C)\C)/C |
别名信息
- 中文别名 -
- 4-羟基视黄醛
- rac all-trans 4-羟基视黄醛
- 英文别名 -
- Retinal, 4-hydroxy-
- all-trans 4-Hydroxyretinal
- ALL-TRANS-4-HYDROXYRETINAL
- rac all-trans 4-Hydroxy Retinal
- 2,4r,5c-triphenyl-4,5-dihydro-1H-imidazole
- 4-hydroxy-retinal
- cis-2,4,5-triphenyl-2-imidazoline
- cis-2,4,5-triphenylimidazoline
- 4-Hydroxyretinal
- (2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal
- CHEBI:139346
- J-011745
- 71423-68-2
- SCHEMBL454966
- CHEMBL41592
- rac all-trans 4-Hydroxyretinal
- (2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal
- 13-Z-4-Hydroxyretinal
- 18344-42-8
- all-trans-4-hydroxyretinal
物化性质
实验特性
LogP |
4.68770 |
PSA |
37.30000 |
计算特性
精确分子量 |
300.20900 |
氢键供体数量 |
1 |
氢键受体数量 |
2 |
可旋转化学键数量 |
5 |
同位素质量 |
300.208930132g/mol |
重原子数量 |
22 |
复杂度 |
554 |
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 |
1 |
确定化学键立构中心数量 |
4 |
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) |
4.4 |
拓扑分子极性表面积 |
37.3Ų |
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