456-72-4 (乳清酸钠,Sodium Orotate)

快速询单

结构式：

乳清酸钠MOL文件

CAS号：

456-72-4

中文名称：

乳清酸钠

英文名称：

Sodium Orotate

分子式：

C₅H₃N₂NaO₄

分子量：

178.078091859818

乳清酸钠(456-72-4)名称与标识符

名称

中文别名：

乳清酸钠;

英文别名：

Sodium Orotate;A907193;AKOS037647359;Orotic acid sodium salt;ZTHMWDSJKLNDTE-UHFFFAOYSA-M;Monosodium orolate;UNII-1K54797G2Z;NS00079488;SCHEMBL193604;sodium;2,4-dioxo-1H-pyrimidine-6-carboxylate;sodium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate;AS-73418;OROTIC ACID MONOSODIUM SALT;OROTATE SODIUM;J-009152;4-PYRIMIDINECARBOXYLIC ACID, 1,2,3,6-TETRAHYDRO-2,6-DIOXO-, MONOSODIUM SALT;AKOS024319298;EN300-7830632;6-Carboxy-2,4-dihydroxy- pyrimidine;C5H3N2NaO4;Orotic acid, monosodium salt;6-CARBOXY-2,4-DIHYDROXYPYRIMIDINEMONOSODIUMSALT;MFCD00050920;Monosodium orotate;CCRIS 685;FT-0687996;456-72-4;SY067132;6-Carboxy-2,4-dihydroxypyrimidine monosodium salt;4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, sodium salt, (1:1);Q27225416;Orotic acid, sodium salt;Sodium 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate;sodium 2,6-dihydroxypyrimidine-4-carboxylate;EINECS 205-834-0;CHEBI:132101;J-518481;1K54797G2Z;154-85-8;4-PYRIMIDINECARBOXYLIC ACID, 1,2,3,6-TETRAHYDRO-2,6-DIOXO-, SODIUM SALT (1:1);DTXSID1021083;

标识符

InChIKey：

ZTHMWDSJKLNDTE-UHFFFAOYSA-M

Inchi：

1S/C5H4N2O4.Na/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1

SMILES：

[Na+].O=C1NC(C=C(C(=O)[O-])N1)=O

乳清酸钠(456-72-4)物化性质

计算特性

精确分子量 : 177.99905086g/mol
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 1
同位素质量 : 177.99905086g/mol
重原子数量 : 12
复杂度 : 273
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 : 2
拓扑分子极性表面积 : 98.3Å²

乳清酸钠(456-72-4)相关文献

1. Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine
Subrata Kundu,N. Nagapradeep,Balaram Mohapatra,Sourav Biswas,Sandeep Verma,Vadapalli Chandrasekhar CrystEngComm 2016 18 4807
2. Index of subjects
J. Chem. Soc. Abstr. 1907 92 B1129
3. Complexation between 3-methylorotic (3-methyluracil-6-carboxylic) acid dianion and divalent metal cations. The slow acid dissociation of transition metal complexes and its possible relevance to orotic acid phosphoribosylation
Denis Lalart,Jean Guillerez,Guy Dodin,Jacques-Emile Dubois J. Chem. Soc. Perkin Trans. 2 1981 1057
4. 464. Purines, pyrimidines, and glyoxalines. Part X. Synthesis of uracil-6-phosphonic acid, an analogue of orotic acid
M. H. Maguire,R. K. Ralph,G. Shaw J. Chem. Soc. 1958 2299
5. Comparison of the acid–base properties of 5- and 6-uracilmethylphosphonate (5Umpa2? and 6Umpa2?) and some related compounds.Evidence for intramolecular hydrogen-bond formation in aqueous solution between (N1)H and the phosphonate group of 6Umpa2?
Cristóbal F. Moreno-Luque,Eva Freisinger,Burkhard Costisella,Rolf Griesser,Justyn Ochocki,Bernhard Lippert,Helmut Sigel J. Chem. Soc. Perkin Trans. 2 2001 2005
6. Hydrogen-bonded neutral and anionic lamellar networks: Crystal structures of bis(O,O′,O″-hydroorotato)disilver(i) dihydrate, potassium hydroorotate and rubidium hydroorotate. Ab initio calculations on orotic acid and the hydroorotate anion
Somer Bekiroglu,Olof Kristiansson J. Chem. Soc. Dalton Trans. 2002 1330
7. 453. Purines, pyrimidines and glyoxalines. Part V. New syntheses of uracils and orotic acids
M. R. Atkinson,M. H. Maguire,R. K. Ralph,G. Shaw,R. N. Warrener J. Chem. Soc. 1957 2363
8. Index of authors' names
J. Chem. Soc. Abstr. 1907 92 B997
9. Synthesis and X-ray crystal structure of the hexafluoroantimonate salt of the dimeric tungsten pentacarbonyl diselenyl cation W2(CO)10Se4 2+
Claude Belin,Thomas Makani,J. Rozière 2+. Claude Belin Thomas Makani J. Rozière J. Chem. Soc. Chem. Commun. 1985 118
10. Purines, pyrimidines, and glyoxalines. Part I. New syntheses of glyoxalines and pyrimidines
G. Shaw J. Chem. Soc. 1955 1834

456-72-4 (乳清酸钠,Sodium Orotate)

乳清酸钠(456-72-4)名称与标识符

名称

标识符

乳清酸钠(456-72-4)物化性质

计算特性

乳清酸钠(456-72-4)相关文献

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