86527-69-7

快速询单

结构式：

86527-69-7MOL文件

CAS号：

86527-69-7

分子式：

C₁₀H₁₂N₅O₁₁P₂

分子量：

440.176703453064

86527-69-7(86527-69-7)名称与标识符

标识符

InChIKey：

QGWNDRXFNXRZMB-UUOKFMHZSA-K

Inchi：

1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1

SMILES：

P(=O)([O-])(OP(=O)([O-])[O-])OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC(N)=NC2=3)=O)O1)O)O

86527-69-7(86527-69-7)物化性质

计算特性

精确分子量 : 440.00085521g/mol
氢键供体数量 : 4
氢键受体数量 : 13
可旋转化学键数量 : 5
同位素质量 : 440.00085521g/mol
重原子数量 : 28
复杂度 : 740
同位素原子数量 : 0
确定原子立构中心数量 : 4
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） : -4.9
拓扑分子极性表面积 : 257Å²

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86527-69-7

86527-69-7(86527-69-7)名称与标识符

标识符

86527-69-7(86527-69-7)物化性质

计算特性

86527-69-7(86527-69-7)相关文献

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