Cas no 25001-18-7 (Benzenesulfonic acid,4,5-dihydroxy-2-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)-)
25001-18-7 structure
Product Name:Benzenesulfonic acid,4,5-dihydroxy-2-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)-
CAS No:25001-18-7
MF:C15H10O10S
MW:382.298903942108
CID:285243
PubChem ID:18544342
Update Time:2025-04-19
Benzenesulfonic acid,4,5-dihydroxy-2-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,4,5-dihydroxy-2-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)-
- Quercetinsulfonicacid
- SCHEMBL6343657
- 25001-18-7
- 4,5-dihydroxy-2-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)benzenesulfonic acid
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- Inchi： 1S/C15H10O10S/c16-5-1-9(19)12-10(2-5)25-15(14(21)13(12)20)6-3-7(17)8(18)4-11(6)26(22,23)24/h1-4,16-19,21H,(H,22,23,24)
- InChI Key： FFPZADFUKQRFHF-UHFFFAOYSA-N
- SMILES： S(C1C=C(C(=CC=1C1=C(C(C2C(=CC(=CC=2O1)O)O)=O)O)O)O)(=O)(=O)O
Computed Properties
- Exact Mass: 381.9994
- Monoisotopic Mass: 381.99946769g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 26
- Rotatable Bond Count: 2
- Complexity: 710
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 190?2
Experimental Properties
- PSA: 181.82
Benzenesulfonic acid,4,5-dihydroxy-2-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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