1-((1S,3R,4R,7R)-7-Hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4(1H,3H)-dione
1-((1S,3R,4R,7R)-7-Hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4(1H,3H)-dione · CAS 1328937-93-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1-((1S,3R,4R,7R)-7-Hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4(1H,3H)-dione
- CAS
- 1328937-93-4
- CID
- 54576564
- IUPAC 名称
- 1-[(1S,3R,4R,7R)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1-((1S,3R,4R,7R)-7-Hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4(1H,3H)-dione
- CAS
- 1328937-93-4
- CID
- 54576564
- IUPAC 名称
- 1-[(1S,3R,4R,7R)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
分子属性
- 分子式
- C10H12N2O6
- 分子量
- 256.21 g/mol
- 精确质量
- 256.06953611 Da
- 单同位素质量
- 256.06953611 Da
- XLogP
- -2.2
- 极性表面积
- 108 Ų
- 氢键供体
- 3
- 氢键受体
- 6
- 可旋转键
- 2
- 重原子数
- 18
- 净电荷
- 0
- 结构复杂度
- 438
结构标识
- InChIKey
- KNLNWXXWKDEEFW-DQUBFYRCSA-N
- SMILES
- C1[C@]2([C@@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)CO
- InChI
- InChI=1S/C10H12N2O6/c13-3-10-4-17-6(7(10)15)8(18-10)12-2-1-5(14)11-9(12)16/h1-2,6-8,13,15H,3-4H2,(H,11,14,16)/t6-,7-,8-,10+/m1/s1