(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate · CAS 147027-10-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
- CAS
- 147027-10-9
- CID
- 10091246
- IUPAC 名称
- [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
- CAS
- 147027-10-9
- CID
- 10091246
- IUPAC 名称
- [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate
分子属性
- 分子式
- C18H27N3O4S
- 分子量
- 381.5 g/mol
- 精确质量
- 381.17222752 Da
- 单同位素质量
- 381.17222752 Da
- XLogP
- 2.9
- 极性表面积
- 120 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 5
- 重原子数
- 26
- 净电荷
- 0
- 结构复杂度
- 622
结构标识
- InChIKey
- QMYKWNYBSBURDT-JINKPPJBSA-N
- SMILES
- C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@@H](CS2)N3C=CC(=NC3=O)N)C(C)C
- InChI
- InChI=1S/C18H27N3O4S/c1-10(2)12-5-4-11(3)8-13(12)24-16(22)17-25-15(9-26-17)21-7-6-14(19)20-18(21)23/h6-7,10-13,15,17H,4-5,8-9H2,1-3H3,(H2,19,20,23)/t11-,12+,13-,15+,17-/m1/s1