72059-35-9 (((6R,7S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

快速询单

结构式：

(6R,7S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidMOL文件

CAS号：

72059-35-9

英文名称：

(6R,7S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

分子式：

C₈H₁₀N₂O₃S

分子量：

214.241600513458

(6R,7S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(72059-35-9)名称与标识符

名称

英文别名：

7-ADCA;(6R,7S)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;52A433;J10350;7-Aminodesacetoxycephalosporanic acid, AldrichCPR;

标识符

MDL：

MFCD00151456

InChIKey：

NVIAYEIXYQCDAN-MHTLYPKNSA-N

Inchi：

1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7+/m0/s1

SMILES：

S1CC(C)=C(C(=O)O)N2C([C@@H]([C@@H]12)N)=O

(6R,7S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(72059-35-9)物化性质

计算特性

氢键供体数量 : 2
氢键受体数量 : 5
可旋转化学键数量 : 1
重原子数量 : 14
复杂度 : 353
疏水参数计算参考值（XlogP） : -3.1
拓扑分子极性表面积 : 109

(6R,7S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(72059-35-9)相关文献

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72059-35-9 (((6R,7S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

(6R,7S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(72059-35-9)名称与标识符

名称

标识符

(6R,7S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(72059-35-9)物化性质

计算特性

(6R,7S)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(72059-35-9)相关文献

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