4H-1-苯并吡喃-4-酮,5-羟基-2-[4-羟基-3-(磺基氧基)苯基]-7-(磺基氧基)- | 59176-62-4
4H-1-苯并吡喃-4-酮,5-羟基-2-[4-羟基-3-(磺基氧基)苯基]-7-(磺基氧基)-
4H-1-Benzopyran-4-one,5-hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-7-(sulfooxy)-
59176-62-4
C15H10O12S2
446.362702846527
名称和标识符
InChIKey |
WFETZDMFLGONLW-UHFFFAOYSA-N |
Inchi |
1S/C15H10O12S2/c16-9-2-1-7(3-13(9)27-29(22,23)24)12-6-11(18)15-10(17)4-8(5-14(15)25-12)26-28(19,20)21/h1-6,16-17H,(H,19,20,21)(H,22,23,24) |
SMILES |
C1(C2=CC=C(O)C(OS(O)(=O)=O)=C2)OC2=CC(OS(O)(=O)=O)=CC(O)=C2C(=O)C=1 |
别名信息
- 英文别名 -
- 4H-1-Benzopyran-4-one,5-hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-7-(sulfooxy)-
- 4H-1-Benzopyran-4-one, 5-hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-7-(sulfooxy)-
- Luteolin 7,3'-disulfate
- Luteolin 7,3'-disulfate
物化性质
实验特性
PSA |
193.96 |
酸度系数(pKa) |
-4.92±0.18(Predicted) |
密度 |
1.955±0.06 g/cm3(Predicted) |
计算特性
精确分子量 |
445.9613 |
氢键供体数量 |
4 |
氢键受体数量 |
12 |
重原子数量 |
29 |
疏水参数计算参考值(XlogP) |
-2.474 |