(2S,5R)-(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
(2S,5R)-(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate · CAS 764659-79-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2S,5R)-(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
- CAS
- 764659-79-2
- CID
- 24809733
- IUPAC 名称
- [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5S)-5-(4-amino-5-fluoro-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
- (2S,5R)-(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
- CAS
- 764659-79-2
- CID
- 24809733
- IUPAC 名称
- [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate
分子属性
- 分子式
- C18H26FN3O4S
- 分子量
- 399.5 g/mol
- 精确质量
- 399.16280565 Da
- 单同位素质量
- 399.16280565 Da
- XLogP
- 3.2
- 极性表面积
- 120 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 5
- 重原子数
- 27
- 净电荷
- 0
- 结构复杂度
- 669
结构标识
- InChIKey
- AUTCQXVTOIJYOT-IDGVSHLYSA-N
- SMILES
- C[C@@H]1CC[C@H]([C@H](C1)OC(=O)[C@@H]2O[C@@H](CS2)N3C=C(C(=NC3=O)N)F)C(C)C
- InChI
- InChI=1S/C18H26FN3O4S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)22-7-12(19)15(20)21-18(22)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H2,20,21,24)/t10-,11+,13+,14+,17-/m1/s1