Cas no 59176-62-4 (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)- structure](https://ossimg.kuujia.com/scimg/59500/59176-62-4x500.png)
59176-62-4 structure
Product Name:4H-1-Benzopyran-4-one,5-hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-7-(sulfooxy)-
CAS No:59176-62-4
MF:C15H10O12S2
MW:446.362702846527
CID:339594
Update Time:2024-03-02
4H-1-Benzopyran-4-one,5-hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-7-(sulfooxy)- Chemical and Physical Properties
Names and Identifiers
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- 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
-
- 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)
- InChI Key： WFETZDMFLGONLW-UHFFFAOYSA-N
- SMILES： C1(C2=CC=C(O)C(OS(O)(=O)=O)=C2)OC2=CC(OS(O)(=O)=O)=CC(O)=C2C(=O)C=1
Computed Properties
- Exact Mass: 445.9613
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 29
- XLogP3: -2.474
Experimental Properties
- Density: 1.955±0.06 g/cm3(Predicted)
- PSA: 193.96
- pka: -4.92±0.18(Predicted)
4H-1-Benzopyran-4-one,5-hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-7-(sulfooxy)- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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