Cas no 76821-79-9 (2,4-Dihydroxypyrimidine-5-carboxylic acid)
76821-79-9 structure
Product Name:2,4-Dihydroxypyrimidine-5-carboxylic acid
CAS No:76821-79-9
MF:C5H4N2O4
MW:156.096261024475
CID:548551
Update Time:2023-08-02
2,4-Dihydroxypyrimidine-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-2,4-dioxo-, radical ion(1+) (9CI)
- 2,4-Dihydroxypyrimidine-5-carboxylic acid
- Uracil 5-carboxylic acid
- Uracil-5-carboxylic acid
- Isoorotic acid
- 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
- 5-Carboxyuracil
- 2,4-Dihydroxy-5-pyrimidinecarboxylic acid
- 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-
- 5-Uracilcarboxylic acid
- G7JYK59EBR
- 5-Pyrimidinecarboxylic acid, 2,4-dihydroxy-
- ZXYAAVBXHKCJJB-UHFFFAOYSA-N
- Iso-orotic acid
-
- Inchi： 1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
- InChI Key： ZXYAAVBXHKCJJB-UHFFFAOYSA-N
- SMILES： O=C1C(C(=O)O)=CNC(N1)=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 268
- Topological Polar Surface Area: 95.5
2,4-Dihydroxypyrimidine-5-carboxylic acid Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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