Cas no 59216-10-3 (1H-Purine-2,6,8(3H)-trione,7,9-dihydro-, sodium salt, hydrate (1:1:1))
59216-10-3 structure
Product Name:1H-Purine-2,6,8(3H)-trione,7,9-dihydro-, sodium salt, hydrate (1:1:1)
CAS No:59216-10-3
MF:C5H5N4NaO4
MW:208.107371091843
CID:379627
PubChem ID:23715168
Update Time:2025-04-19
1H-Purine-2,6,8(3H)-trione,7,9-dihydro-, sodium salt, hydrate (1:1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-, sodium salt, hydrate (1:1:1)
- sodium,3,9-dihydropurin-7-ide-2,6,8-trione,hydrate
- Monosodium urate monohydrate
- 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, monosodium salt, monohydrate
- DTXSID30207964
- sodium;3,9-dihydropurin-7-ide-2,6,8-trione;hydrate
- Sodium Urate Monohydrate
- 59216-10-3
-
- Inchi： 1S/C5H4N4O3.Na.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/q;+1;/p-1
- InChI Key： UCUGUQPGZNAZKD-UHFFFAOYSA-M
- SMILES： [Na+].O=C1C2=C(NC(N1)=O)NC([N-]2)=O.O
Computed Properties
- Exact Mass: 208.02095
- Monoisotopic Mass: 208.020849
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 337
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 89.3
Experimental Properties
- PSA: 137.15
1H-Purine-2,6,8(3H)-trione,7,9-dihydro-, sodium salt, hydrate (1:1:1) Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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4. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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