394-40-1 ((5-PYRIMIDINECARBOXYLIC ACID, 2,4-DIHYDROXY-)

快速询单

结构式：

5-PYRIMIDINECARBOXYLIC ACID, 2,4-DIHYDROXY-MOL文件

CAS号：

394-40-1

英文名称：

5-PYRIMIDINECARBOXYLIC ACID, 2,4-DIHYDROXY-

分子式：

C₅H₄N₂O₄

分子量：

156.096261024475

5-PYRIMIDINECARBOXYLIC ACID, 2,4-DIHYDROXY-(394-40-1)名称与标识符

名称

英文别名：

5-PYRIMIDINECARBOXYLIC ACID, 2,4-DIHYDROXY-;STL140994;uracil-5-carboxylic acid momohydrate;AC-5978;Iso-orotic acid;BBL009640;AKOS000265273;5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-, radical ion(1+) (9CI);5CU;UNII-G7JYK59EBR;InChI=1/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11;uracil-5-carboxylic acid (enol form);2,4-Dihydroxypyrimidine-5-carboxylic acid;MFCD00075737;5-Pyrimidinecarboxylic acid,2,3,4-tetrahydro-2,4-dioxo-;Uracil 5-carboxylic acid;Uracil-5-carboxylic acid;SCHEMBL127493;5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-;59299-01-3;BCP26875;2,4-Dihydroxy-5-pyrimidne carboxylic acid;Isoorotic acid;5-Pyrimidinecarboxylic acid,4-dihydroxy-;EINECS 245-947-2;80106-50-9;2,4-Dihydroxypyrimidine-5-carboxylic acid anhydrous;AI3-22925;76821-79-9;CHEMBL1213478;BBL012114;EN300-20308;5-Carboxyuracil;GS-3379;5-Uracilcarboxylic acid;SY008882;2,4-dihydroxy-pyrimidine-5-carboxylic acid;NSC-1589;Uracil-5-carboxylic acid;Isoorotic acid;Uracil 5-carboxylic acid;2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylicacid;F2113-0110;NSC 1589;2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid;FD08255;HY-66047;BS-3858;2,4-Dihydroxypyrimidine-5-carboxylic Acid, Hydrate;1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid;CHEBI:192377;s3127;STL068908;5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-, hydrate;2,4-Dihydroxypyrimidine-5-carboxylic acid, 95%;23945-44-0;5-Carboxy-uracil;NSC1589;DTXSID1066942;Z104477702;2,4-dioxo-1H-pyrimidine-5-carboxylic acid;G7JYK59EBR;CHEBI:17477;NSC-79561;ALBB-025843;2,4-Dihydroxy-5-pyrimidinecarboxylic acid;SB11836;Q27102419;NS00050935;394-40-1;C03030;AKOS001717388;MFCD00006023;2,4-dihydroxy-pyrimidin-5-carboxylic acid;5-Carboxy-2,4-dihydroxypyrimidine;CS-D0802;SB57502;

标识符

MDL：

MFCD00075737

InChIKey：

ZXYAAVBXHKCJJB-UHFFFAOYSA-N

Inchi：

1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)

SMILES：

O=C1C(C(=O)O)=CNC(N1)=O

5-PYRIMIDINECARBOXYLIC ACID, 2,4-DIHYDROXY-(394-40-1)物化性质

计算特性

精确分子量 : 156.01710661Da
氢键供体数量 : 3
氢键受体数量 : 4
可旋转化学键数量 : 1
同位素质量 : 156.01710661Da
重原子数量 : 11
复杂度 : 268
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -0.7
拓扑分子极性表面积 : 95.5Å²

5-PYRIMIDINECARBOXYLIC ACID, 2,4-DIHYDROXY-(394-40-1)相关文献

1. 1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties
Ritesh Haldar,K. L. Gurunatha,Nivedita Sikdar,Tapas Kumar Maji Inorg. Chem. Front. 2015 2 278
2. Correction: 1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties
Ritesh Haldar,K. L. Gurunatha,Nivedita Sikdar,Tapas Kumar Maji Inorg. Chem. Front. 2015 2 485
3. Anionic derivatives of uracil: fragmentation and reactivity
Callie A. Cole,Zhe-Chen Wang,Theodore P. Snow,Veronica M. Bierbaum Phys. Chem. Chem. Phys. 2014 16 17835
4. Metal–organic frameworks (MOFs) based on mixed linker systems: structural diversities towards functional materials
Ritesh Haldar,Tapas Kumar Maji CrystEngComm 2013 15 9276
5. Purines, pyrimidines, and imidazoles. Part XL. A new synthesis of a D-ribofuranosylamine derivative and its use in the synthesis of pyrimidine and imidazole nucleosides
Noel J. Cusack,Brian J. Hildick,David H. Robinson,Peter W. Rugg,Gordon Shaw J. Chem. Soc. Perkin Trans. 1 1973 1720
6. Naked eye sensing of melamine using rationally tailored gold nanoparticles: hydrogen-bonding and charge-transfer recognition
Raj Kumar Bera,C. Retna Raj Analyst 2011 136 1644
7. Structure, reactivity and solution behaviour of [Re(ser)(7-MeG)(CO)3] and [Re(ser)(3-pic)(CO)3]: “nucleoside-mimicking” complexes based on the fac-[Re(CO)3]+ moiety
Fabio Zobi,Bernhard Spingler,Roger Alberto Dalton Trans. 2005 2859
8. Multicomponent solids of uracil derivatives – orotic and isoorotic acids
Vineet Kumar,Pramod Kumar Goswami,Ram Thaimattam,Arunachalam Ramanan CrystEngComm 2018 20 3490
9. Purines, pyrimidines and imidazoles. Part 67. Some N-substituted o-(2-hydroxyethyl)benzyl-purines, -pyrimidines and -imidazoles as aromatic acylonucleoside analogues
Demetrios C. Agathocleous,Gordon Shaw J. Chem. Soc. Perkin Trans. 1 1993 2555
10. Purines, pyrimidines and imidazoles. Part 67. Some N-substituted o-(2-hydroxyethyl)benzyl-purines, -pyrimidines and -imidazoles as aromatic acylonucleoside analogues
Demetrios C. Agathocleous,Gordon Shaw J. Chem. Soc. Perkin Trans. 1 1993 2555

83217-10-1(4,6-DICHLORO-2-[3-(TRIFLUOROMETHYL)PHENYL]PYRIMIDINE) 83217-30-5(4,6-DICHLORO-2-(4-FLUOROPHENYL)PYRIMIDINE) 832146-68-6([1,3-双(2,4,6-三甲基苯基)-2-咪唑烷亚基][(三环己基膦亚基)甲基]二氯化钌四氟硼酸盐) 83-28-3(异杀鼠酮) 96192-93-7((R)-3-氨基-2-[[(苄氧基)羰基]氨基]丙酸甲酯盐酸盐) 959581-75-0((3S,4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(2-thienyl)-3-py rrolidinecarboxylic acid) 959632-18-9(4-碘-3-甲基苯甲醇) 959746-05-5(cis-2-tert-Butoxycarbonylaminocyclopent-3-ene-1-carboxylic acid)

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394-40-1 ((5-PYRIMIDINECARBOXYLIC ACID, 2,4-DIHYDROXY-)

5-PYRIMIDINECARBOXYLIC ACID, 2,4-DIHYDROXY-(394-40-1)名称与标识符

名称

标识符

5-PYRIMIDINECARBOXYLIC ACID, 2,4-DIHYDROXY-(394-40-1)物化性质

计算特性

5-PYRIMIDINECARBOXYLIC ACID, 2,4-DIHYDROXY-(394-40-1)相关文献

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