3-甲基尿酸 | 605-99-2
中文名称:
3-甲基尿酸
英文名称:
3-Methyluric Acid
CAS No.:
605-99-2
分子式:
C6 H6 N4 O3
分子量:
182.13684
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:3-甲基尿酸结构式
名称和标识符
InChIKey
ODCYDGXXCHTFIR-UHFFFAOYSA-N
Inchi
InChI=1S/C6H6N4O3/c1-10-3-2(7-5(12)8-3)4(11)9-6(10)13/h1H3,(H2,7,8,12)(H,9,11,13)
SMILES
Cn1c2[nH]c(=O)[nH]c2c(=O)[nH]c1=O
别名信息
- 英文别名 -
1H-Purine-2,6,8(3H)-trione,7,9-dihydro-3-methyl-
3-Methyluric Acid
3-methyl-7,9-dihydropurine-2,6,8-trione
1-methyluric acid
3-Methyl-2,6,8-trioxopurine
3-Methyl-7,9-dihydro-3H-purine-2,6,8-trione
3-Methylharnsaeure
3-methylurate
4,9-Dihydro-3-methyl-1H-purine-2,6,8(3H)-trione
物化性质
实验特性
LogP
-1.75680
PSA
103.51000
折射率
1.6334 (estimate)
沸点
315.51°C (rough estimate)
熔点
>349.85°C
密度
1.6104
计算特性
精确分子量
182.04400
氢键供体数量
3
氢键受体数量
3
可旋转化学键数量
0
同位素质量
182.04399
重原子数量
13
复杂度
359
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)
_1.1
拓扑分子极性表面积
90.5
相关文献
1.
Comparison of electrochemical and enzymic oxidation of 3-methyluric acid
Rajendra N. Goyal,Madhu Shri Verma J. Chem. Soc. Perkin Trans. 2 1993 1241
2.
The urinary metabolomic profile following the intake of meals supplemented with a cocoa extract in middle-aged obese subjects
Idoia Ibero-Baraibar,Ana Romo-Hualde,Carlos J. Gonzalez-Navarro,M. Angeles Zulet,J. Alfredo Martinez Food Funct. 2016 7 1924
3.
Organic chemistry
J. Chem. Soc. Abstr. 1917 112 i249
4.
Organic chemistry
J. Chem. Soc. Abstr. 1919 116 i245
5.
199. Uric acid riboside. Part I. Isolation and reinvestigation of the structure
H. S. Forrest,Dolph Hatfield,J. M. Lagowski J. Chem. Soc. 1961 963
6.
Growth and inhibition of monohydrate sodium urate banded spherulites
Yao Zhou,Xiaowei Feng,Ting Wang,Yang Tian,Xiaoyan Cui CrystEngComm 2021 23 1439
7.
Hydroxyl radical induced oxidation of theophylline in water: a kinetic and mechanistic study
M. M. Sunil Paul,U. K. Aravind,G. Pramod,A. Saha,C. T. Aravindakumar Org. Biomol. Chem. 2014 12 5611
8.
Assessment of data pre-processing methods for LC-MS/MS-based metabolomics of uterine cervix cancer
Yanhua Chen,Jing Xu,Ruiping Zhang,Guoqing Shen,Yongmei Song,Jianghao Sun,Jiuming He,Qimin Zhan,Zeper Abliz Analyst 2013 138 2669
9.
292. The constitution of the purine nucleosides. Part VIII. Uric acid riboside
Roderick Falconer,J. Masson Gulland J. Chem. Soc. 1939 1369
10.
Organic chemistry
J. Chem. Soc. Abstr. 1923 124 i1049
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