Cas no 872266-03-0 (1H-Purine-2,6,8(3H)-trione,tetrahydro-)
872266-03-0 structure
Product Name:1H-Purine-2,6,8(3H)-trione,tetrahydro-
CAS No:872266-03-0
MF:C5H6N4O3
MW:170.126140117645
CID:719441
PubChem ID:15773209
Update Time:2025-04-19
1H-Purine-2,6,8(3H)-trione,tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6,8(3H)-trione,tetrahydro-
- U-6000
- SCHEMBL13805527
- 872266-03-0
- octahydro-1H-purine-2,6,8-trione
- U-6060
- Tetrahydroharnsaure
- Tetrahydro-1H-purine-2,6,8(3H)-trione
-
- Inchi： 1S/C5H6N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h1-2H,(H2,6,7,11)(H2,8,9,10,12)
- InChI Key： TVWHNULVHGKJHS-UHFFFAOYSA-N
- SMILES： O=C1C2C(NC(N1)=O)NC(N2)=O
Computed Properties
- Exact Mass: 170.04399007g/mol
- Monoisotopic Mass: 170.04399007g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 276
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.9
- Topological Polar Surface Area: 99.3?2
1H-Purine-2,6,8(3H)-trione,tetrahydro- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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