52007-79-1 ((Phosphoric acid, polymer with 1,2,3-propanetriol)

快速询单

结构式：

Phosphoric acid, polymer with 1,2,3-propanetriolMOL文件

CAS号：

52007-79-1

英文名称：

Phosphoric acid, polymer with 1,2,3-propanetriol

分子式：

C₃H₁₁O₇P

分子量：

190.089002847672

Phosphoric acid, polymer with 1,2,3-propanetriol(52007-79-1)名称与标识符

名称

英文别名：

Phosphoric acid, polymer with 1,2,3-propanetriol;polyglycerolphosphate;Poly(grop);poly(glycerol phosphate) macromolecule;

标识符

InChIKey：

XYZZKVRWGOWVGO-UHFFFAOYSA-N

Inchi：

1S/C3H8O3.H3O4P/c4-1-3(6)2-5;1-5(2,3)4/h3-6H,1-2H2;(H3,1,2,3,4)

SMILES：

C(O)(CO)CO.P(O)(O)(O)=O

Phosphoric acid, polymer with 1,2,3-propanetriol(52007-79-1)物化性质

实验特性

LogP : -1.55110
PSA : 117.03000
沸点 : 290°Cat760mmHg
闪点 : 160°C

计算特性

精确分子量 : 190.024
氢键供体数量 : 6
氢键受体数量 : 7
可旋转化学键数量 : 2
同位素质量 : 190.024
重原子数量 : 11
复杂度 : 75
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 : 2
疏水参数计算参考值（XlogP） : 无
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 138A^2

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