54166-09-5 (6-脱氧葡糖醛酮,6-deoxyglucosone)

快速询单

结构式：

6-脱氧葡糖醛酮MOL文件

CAS号：

54166-09-5

中文名称：

6-脱氧葡糖醛酮

英文名称：

6-deoxyglucosone

分子式：

C₆H₁₀O₅

分子量：

162.140602588654

6-脱氧葡糖醛酮(54166-09-5)名称与标识符

名称

中文别名：

6-脱氧葡糖醛酮;

英文别名：

6-deoxyglucosone;L-arabino-Hexos-2-ulose, 6-deoxy-;

标识符

InChIKey：

JMKYUOVNRCMPDL-FUTKDDECSA-N

Inchi：

1S/C6H10O5/c1-3(8)5(10)6(11)4(9)2-7/h2-3,5-6,8,10-11H,1H3/t3-,5-,6-/m0/s1

SMILES：

O[C@H]([C@H](C(C=O)=O)O)[C@H](C)O

6-脱氧葡糖醛酮(54166-09-5)物化性质

计算特性

精确分子量 : 162.05282342g/mol
氢键供体数量 : 3
氢键受体数量 : 5
可旋转化学键数量 : 4
同位素质量 : 162.05282342g/mol
重原子数量 : 11
复杂度 : 155
同位素原子数量 : 0
确定原子立构中心数量 : 3
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） : -1.9
拓扑分子极性表面积 : 94.8Å²

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54166-09-5 (6-脱氧葡糖醛酮,6-deoxyglucosone)

6-脱氧葡糖醛酮(54166-09-5)名称与标识符

名称

标识符

6-脱氧葡糖醛酮(54166-09-5)物化性质

计算特性

6-脱氧葡糖醛酮(54166-09-5)相关文献

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