HCID178520099

2-(hydroxymethyl)-5-(6-hydroxypurin-9-yl)oxolane-3,4-diol

C10H12N4O5268.23 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: OCC1OC(n2cnc3c(O)ncnc32)C(O)C1O
InChIKey: UGQMRVRMYYASKQ-UHFFFAOYSA-N
分子式: C10H12N4O5
平均分子量: 268.23 g/mol
单同位素质量: 268.0807695

COMPUTED

结构计算性质

已同步

XLogP: -0.7
极性表面积: 134 Å²
氢键供体: 4
氢键受体: 8
可旋转键: 2
重原子: 19
形式电荷: 0
复杂度: 335

REACTIONS

参与反应

7 条

HRID 107057 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 170264 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 205482 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

HRID 822182 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

HRID 1133866 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

HRID 1146368 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

HRID 2159612 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D