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51953-15-2 (9H-嘌呤-2-醇 (9ci),9H-Purin-2-ol (9CI))

结构式：

9H-嘌呤-2-醇 (9ci)结构式图片|51953-15-2结构式图片

9H-嘌呤-2-醇 (9ci)MOL文件

CAS号：

51953-15-2

中文名称：

9H-嘌呤-2-醇 (9ci)

英文名称：

9H-Purin-2-ol (9CI)

分子式：

C₅H₄N₄O

分子量：

136.111459732056

9H-嘌呤-2-醇 (9ci)(51953-15-2)名称与标识符

名称

中文别名：

9H-嘌呤-2-醇 (9ci);

英文别名：

9H-Purin-2-ol (9CI);AKOS006343507;2H-Purin-2-one, 1,3-dihydro;2-Oxopurine;DB-264250;SCHEMBL276945;oxypurine;51953-22-1;DB-270409;Purin-2(1H)-one;1h-purin-2-ol;DB-270406;9H-Purin-2-ol(9ci);oxodihydropurine;3,9-dihydropurin-2-one;9H-Purin-2-ol #;CRIZPXKICGBNKG-UHFFFAOYSA-N;1,3-Dihydro-2H-purin-2-one;51953-21-0;3,7-dihydropurin-2-one;2-Purinol;51953-15-2;DB-259598;2H-PURIN-2-ONE, 3,9-DIHYDRO-;9H-Purin-2-ol;Purin-2-ol;7H-Purin-2-ol;2H-Purin-2-one, 1,3-dihydro-;95121-01-0;2308-57-8;DTXSID70177652;2H-PURIN-2-ONE, 1,9-DIHYDRO-;2-Hydroxypurine;

标识符

InChIKey：

CRIZPXKICGBNKG-UHFFFAOYSA-N

Inchi：

1S/C5H4N4O/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)

SMILES：

O=C1N=CC2=C(N=CN2)N1

9H-嘌呤-2-醇 (9ci)(51953-15-2)物化性质

计算特性

精确分子量 : 136.03851076g/mol
氢键供体数量 : 2
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 136.03851076g/mol
重原子数量 : 10
复杂度 : 190
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） : -0.5
拓扑分子极性表面积 : 70.1Å²

9H-嘌呤-2-醇 (9ci)(51953-15-2)相关文献

1. Degradation kinetics and mechanism of pentoxifylline by ultraviolet activated peroxydisulfate
B. Kamińska,K. Majewska,A. Skwierawska,K. Koz?owska-Tylingo RSC Adv. 2018 8 23648
2. Analysis of nucleosides and nucleobases by microemulsion electrokinetic capillary chromatography coupled with field-amplified sample injection
Yu He,Wenmin Zhang,Jinfeng Chen,Fang Gu,Jintian Cheng,Lan Zhang,Guonan Chen Anal. Methods 2015 7 2603
3. A reversed-phase/hydrophilic bifunctional interaction mixed-mode monolithic column with biphenyl and quaternary ammonium stationary phases for capillary electrochromatography
Zhenkun Mao,Changjun Hu,Zhentao Li,Zilin Chen Analyst 2019 144 4386
4. Ultrafast nonradiative deactivation of photoexcited 8-oxo-hypoxanthine: a nonadiabatic molecular dynamics study
Joanna Jankowska,Robert W. Góra Phys. Chem. Chem. Phys. 2021 23 1234
5. Molecular thermodynamics of metabolism: quantum thermochemical calculations for key metabolites
N. Hadadi,M. Ataman,V. Hatzimanikatis,C. Panayiotou Phys. Chem. Chem. Phys. 2015 17 10438
6. EPR spectroscopic study of the radical oxidation of hydroxypurines in aqueous solution: acid–base properties of the derived radicals
Stephen R. Langman,M. Candida B. L. Shohoji,Jo?o P. Telo,Abel J. S. C. Vieira,Horácio M. Novais J. Chem. Soc. Perkin Trans. 2 1996 1461
7. 136. Purine studies. Part III. The structure of the monohydroxy- and monomercapto-purines : some thiazole[5 : 4-d]pyrimidines
D. J. Brown,S. F. Mason J. Chem. Soc. 1957 682
8. Oxidation pathways of adenine and guanine in aqueous solution from first principles electrochemistry
Jorge Llano,Leif A. Eriksson Phys. Chem. Chem. Phys. 2004 6 4707
9. Studies on the chemical reactivity and the physical properties of allopurinol (pyrazolo[3,4-d]pyrimidin-4-one) and related compounds
Felix Bergmann,Aria Frank,Zohar Neiman J. Chem. Soc. Perkin Trans. 1 1979 2795
10. Nanomolar detection of guanine based on a novel cobalt oxide nanostructure-modified glassy carbon electrode
Rahman Hallaj,Abdollah Salimi Anal. Methods 2011 3 911

目录

相关化合物

51953-05-0(8-羟基嘌呤) 80290-18-2(5-溴-6-氟-2-甲基喹啉) 80261-93-4(Ethanone, 1-(4-amino-2-methylphenyl)-2-chloro- (9CI)) 80270-68-4(N-(1,2,3,4-四氢-8-甲氧基-2-萘基)乙酰胺) 8030-53-3(赤霉素 D) 796966-15-9(（1R,4R）-2,5-二苯基二环[2.2.2]辛-2,5-二烯) 80312-69-2(Boc-Ser-NH2) 80385-33-7(3-PHENOXY-1-PIPERAZIN-1-YL-PROPAN-1-ONE X HCL)

960化工网为您提供9H-嘌呤-2-醇 (9ci)专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.51953-15-2,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:51953-15-2 国际站:51953-15-2

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