16053-58-0 ((Methanesulfonic acid,ion(1-) (8CI,9CI))

快速询单

结构式：

Methanesulfonic acid,ion(1-) (8CI,9CI)MOL文件

CAS号：

16053-58-0

英文名称：

Methanesulfonic acid,ion(1-) (8CI,9CI)

分子式：

CH₃O₃S

分子量：

95.0977194309235

Methanesulfonic acid,ion(1-) (8CI,9CI)(16053-58-0)名称与标识符

名称

英文别名：

Methanesulfonic acid,ion(1-) (8CI,9CI);Methanesulfonateanion;methanesulfonate;methanesulphonate;Methanesulfonate anion;methane-sulfonate;methyl sulphonate;16053-58-0;Q27109874;Methanesulfonic acid, ion(1-);AFVFQIVMOAPDHO-UHFFFAOYSA-M;methane sulfonate;methylsulfonate;DTXSID7044009;methane sulphonate;methyl sulfonate;CHEBI:25224;

标识符

InChIKey：

AFVFQIVMOAPDHO-UHFFFAOYSA-M

Inchi：

1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1

SMILES：

S(C)(=O)(=O)[O-]

Methanesulfonic acid,ion(1-) (8CI,9CI)(16053-58-0)物化性质

计算特性

精确分子量 : 94.98029013g/mol
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 94.98029013g/mol
重原子数量 : 5
复杂度 : 79.2
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
拓扑分子极性表面积 : 65.6Å²

Methanesulfonic acid,ion(1-) (8CI,9CI)(16053-58-0)合成路线

合成路线：1 步

_51%

反应条件：

1.1 Reagents: Sodium borohydride Solvents: Methanol ; 30 min, cooled; 30 min, cooled
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified
1.3 Solvents: 1,4-Dioxane ; 72 h, reflux
1.4 Reagents: Oxygen Solvents: Ethanol ; 48 h, rt

参考文献：

Effect of mitoquinone on liver metabolism and steatosis in obese and diabetic rats

Fink, Brian D.; Yu, Liping; Coppey, Lawrence; Obrosov, Alexander; Shevalye, Hanna; et al, Pharmacology Research & Perspectives, 2021, 9(1),

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