Cas no 5629-46-9 (2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, trihydrate)
5629-46-9 structure
Product Name:2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, trihydrate
CAS No:5629-46-9
MF:C4H10N2O8
MW:214.130801677704
CID:349284
PubChem ID:71444754
Update Time:2025-04-19
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, trihydrate Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, trihydrate
- 5,5-dihydroxy-1,3-diazinane-2,4,6-trione,trihydrate
- 2,4,5,6(1H,3H)-Pyrimidinetetrone, hydrate (1:4)
- DTXSID50853508
- UNII-A68ISX72MQ
- 5629-46-9
- Alloxan, tetrahydrate
- Mesoxalylurea tetrahydrate
- Q27273685
- Barbituric acid, 5,5-dihydroxy-, trihydrate
- A68ISX72MQ
- 2,4,5,6(1H,3H)-Pyrimidinetetrone, tetrahydrate
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, hydrate (1:3)
- 5,5-Dihydroxypyrimidine-2,4,6(1H,3H,5H)-trione--water (1/3)
-
- Inchi： 1S/C4H4N2O5.3H2O/c7-1-4(10,11)2(8)6-3(9)5-1;;;/h10-11H,(H2,5,6,7,8,9);3*1H2
- InChI Key： PBPLAJFENFYAFN-UHFFFAOYSA-N
- SMILES： OC1(C(NC(NC1=O)=O)=O)O.O.O.O
Computed Properties
- Exact Mass: 214.0437
- Monoisotopic Mass: 214.04371528g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 223
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 119?2
Experimental Properties
- PSA: 210.23
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, trihydrate Related Literature
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
5629-46-9 (2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, trihydrate) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
