(1S,2R)-1-((2R,3S,4R,6S)-3-Acetamido-4,6-diacetoxy-5-fluoro-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate
(1S,2R)-1-((2R,3S,4R,6S)-3-Acetamido-4,6-diacetoxy-5-fluoro-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate · CAS 117405-58-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1S,2R)-1-((2R,3S,4R,6S)-3-Acetamido-4,6-diacetoxy-5-fluoro-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate
- CAS
- 117405-58-0
- CID
- 14101554
- IUPAC 名称
- methyl 5-acetamido-2,4-diacetyloxy-3-fluoro-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1S,2R)-1-((2R,3S,4R,6S)-3-Acetamido-4,6-diacetoxy-5-fluoro-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate
- CAS
- 117405-58-0
- CID
- 14101554
- IUPAC 名称
- methyl 5-acetamido-2,4-diacetyloxy-3-fluoro-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate
分子属性
- 分子式
- C22H30FNO14
- 分子量
- 551.5 g/mol
- 精确质量
- 551.16503279 Da
- 单同位素质量
- 551.16503279 Da
- XLogP
- -0.8
- 极性表面积
- 196 Ų
- 氢键供体
- 1
- 氢键受体
- 15
- 可旋转键
- 16
- 重原子数
- 38
- 净电荷
- 0
- 结构复杂度
- 954
结构标识
- InChIKey
- COXHVKPJIOSDPS-UHFFFAOYSA-N
- SMILES
- CC(=O)NC1C(C(C(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(=O)C)F)OC(=O)C
- InChI
- InChI=1S/C22H30FNO14/c1-9(25)24-16-18(17(35-12(4)28)15(34-11(3)27)8-33-10(2)26)38-22(21(31)32-7,37-14(6)30)20(23)19(16)36-13(5)29/h15-20H,8H2,1-7H3,(H,24,25)