Cas no 64790-22-3 (1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, hydrate)
64790-22-3 structure
Product Name:1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, hydrate
CAS No:64790-22-3
MF:C5H6N4O4
MW:186.1255402565
CID:415592
PubChem ID:71378577
Update Time:2025-04-19
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, hydrate Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, hydrate
- 7,9-dihydro-3H-purine-2,6,8-trione,hydrate
- 7,9-Dihydro-1H-purine-2,6,8(3H)-trione--water (1/1)
- uric acid monohydrate
- 64790-22-3
- SCHEMBL16213309
- DTXSID70801187
-
- Inchi： 1S/C5H4N4O3.H2O/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;/h(H4,6,7,8,9,10,11,12);1H2
- InChI Key： KTWFZIRYVDSYGI-UHFFFAOYSA-N
- SMILES： O=C1C2=C(NC(N1)=O)NC(N2)=O.O
Computed Properties
- Exact Mass: 186.03898
- Monoisotopic Mass: 186.03890469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 332
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 130.83
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, hydrate Related Literature
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
64790-22-3 (1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, hydrate) Related Products
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