Cas no 14677-69-1 (Benzenesulfonic acid,4-(2-amino-6,9-dihydro-6-oxo-1H-purin-8-yl)-)
14677-69-1 structure
Product Name:Benzenesulfonic acid,4-(2-amino-6,9-dihydro-6-oxo-1H-purin-8-yl)-
CAS No:14677-69-1
MF:C11H9N5O4S
MW:307.285259962082
CID:203921
PubChem ID:136171118
Update Time:2025-04-19
Benzenesulfonic acid,4-(2-amino-6,9-dihydro-6-oxo-1H-purin-8-yl)- Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonic acid,4-(2-amino-6,9-dihydro-6-oxo-1H-purin-8-yl)-
- 4-(2-amino-6-oxo-3,7-dihydropurin-8-yl)benzenesulfonic acid
- Benzenesulfonic acid,p-(2-amino-1,6-dihydro-6-oxopurin-8-yl)- (7CI,8CI)
- Benzenesulfonicacid, 4-(2-amino-6,7-dihydro-6-oxo-1H-purin-8-yl)- (9CI)
- p-(2-Amino-1,6-dihydro-6-oxopurin-8-yl)benzenesulfonic acid
- Benzenesulfonic acid, p-(2-amino-1,6-dihydro-6-oxopurin-8-yl)-
- 4-(6-Hydroxy-2-imino-3,9-dihydro-2H-purin-8-yl)benzene-1-sulfonic acid
- DTXSID80932911
- 14677-69-1
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- Inchi： 1S/C11H9N5O4S/c12-11-15-9-7(10(17)16-11)13-8(14-9)5-1-3-6(4-2-5)21(18,19)20/h1-4H,(H,18,19,20)(H4,12,13,14,15,16,17)
- InChI Key： BWCLFVSSQAFNNY-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)C1=NC2=C(C(NC(N)=N2)=O)N1)(=O)(=O)O
Computed Properties
- Exact Mass: 307.03767
- Monoisotopic Mass: 307.03752496g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 564
- 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: -0.7
- Topological Polar Surface Area: 159?2
Experimental Properties
- PSA: 150.53
Benzenesulfonic acid,4-(2-amino-6,9-dihydro-6-oxo-1H-purin-8-yl)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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