30382-30-0 ((erythro-Hexos-2-ulose,3-deoxy- (9CI))

快速询单

结构式：

erythro-Hexos-2-ulose,3-deoxy- (9CI)MOL文件

CAS号：

30382-30-0

英文名称：

erythro-Hexos-2-ulose,3-deoxy- (9CI)

分子式：

C₆H₁₀O₅

分子量：

162.140602588654

erythro-Hexos-2-ulose,3-deoxy- (9CI)(30382-30-0)名称与标识符

名称

英文别名：

erythro-Hexos-2-ulose,3-deoxy- (9CI);3-Deoxyglucosulose;erythro-Hexosulose,3-deoxy- (7CI,8CI);3-deoxy-2-ketoglucose;3-Deoxy-erythro-hexosulose;Q4634133;SCHEMBL5048894;30382-30-0;DTXSID00193820;D-3-Deoxyglucosone;EXV5374VEY;3-Deoxy-D-erythro-hexos-2-ulose;CS-0119604;ZGCHLOWZNKRZSN-NTSWFWBYSA-N;AKOS030253181;3-deoxy Glucosone;3-Deoxy-D-glucosone;erythro-Hexosulose, 3-deoxy-;3-deoxy-D-erythro-hexosulose;UNII-EXV5374VEY;0797E864-9E7E-48FF-A385-2CCDC0C15AB6;CHEBI:60777;4084-27-9;3-Deoxyglucosone;(4S,5R)-4,5,6-trihydroxy-2-oxohexanal;D-erythro-Hexos-2-ulose, 3-deoxy-;HY-N7426;3-deoxy-erythro-hexos-2-ulose;2-Keto-3-deoxyglucose;D-erythro-Hexosulose, 3-deoxy-;CCRIS 4272;

标识符

InChIKey：

ZGCHLOWZNKRZSN-NTSWFWBYSA-N

Inchi：

1S/C6H10O5/c7-2-4(9)1-5(10)6(11)3-8/h2,5-6,8,10-11H,1,3H2/t5-,6+/m0/s1

SMILES：

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

erythro-Hexos-2-ulose,3-deoxy- (9CI)(30382-30-0)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 : 5
同位素质量 : 162.05282342g/mol
重原子数量 : 11
复杂度 : 144
同位素原子数量 : 0
确定原子立构中心数量 : 2
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） : -2.4
拓扑分子极性表面积 : 94.8Å²

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30382-30-0 ((erythro-Hexos-2-ulose,3-deoxy- (9CI))

erythro-Hexos-2-ulose,3-deoxy- (9CI)(30382-30-0)名称与标识符

名称

标识符

erythro-Hexos-2-ulose,3-deoxy- (9CI)(30382-30-0)物化性质

计算特性

erythro-Hexos-2-ulose,3-deoxy- (9CI)(30382-30-0)相关文献

目录