6H-Purin-6-one,2,8-diamino-1,9-dihydro-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]- | 98695-80-8
6H-Purin-6-one,2,8-diamino-1,9-dihydro-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-
98695-80-8
C9H14N6O4
270.24526
名称和标识符
InChIKey |
SYAUXCCCMBAREC-UHFFFAOYSA-N |
Inchi |
InChI=1S/C9H14N6O4/c10-8-13-6-5(7(18)14-8)12-9(11)15(6)3-19-4(1-16)2-17/h4,16-17H,1-3H2,(H2,11,12)(H3,10,13,14,18) |
SMILES |
C(C(CO)OCN1C2=C(C(=O)NC(=N2)N)N=C1N)O |
别名信息
- 英文别名 -
- 6H-Purin-6-one,2,8-diamino-1,9-dihydro-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-
- 6H-Purin-6-one, 2,8-diamino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl )ethoxy)methyl)-
- SYAUXCCCMBAREC-UHFFFAOYSA-N
- 2-[(6-Hydroxy-2,8-diimino-2,3,7,8-tetrahydro-9H-purin-9-yl)methoxy]propane-1,3-diol
- 6H-Purin-6-one,2,8-diamino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-
- 8-Amino-2'-nordeoxyguanosine
- DTXSID60913122
- 98695-80-8
- 2-[(2,8-Diamino-6-hydroxy-9H-purin-9-yl)methoxy]-1,3-propanediol
- PD 116124
- PD-116124
- 2,8-diamino-1,9-dihydro-9-[[2-hydroxy-1-(hydroxymethyl)e thoxy]methyl]-6h-purin-6-one
- 6H-Purin-6-one, 2,8-diamino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-
- SCHEMBL9663817
物化性质
实验特性
折射率 |
1.82 |
沸点 |
708°Cat760mmHg |
闪点 |
382°C |
密度 |
1.96 |
计算特性
精确分子量 |
270.108 |
氢键供体数量 |
5 |
氢键受体数量 |
6 |
可旋转化学键数量 |
5 |
同位素质量 |
270.108 |
重原子数量 |
19 |
复杂度 |
374 |
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 |
1 |
疏水参数计算参考值(XlogP) |
_2 |
拓扑分子极性表面积 |
161Ų |