(8-Methyl-8-azabicyclo(3.2.1)octan-3-yl) 3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrate
(8-Methyl-8-azabicyclo(3.2.1)octan-3-yl) 3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrate · CAS 5908-99-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (8-Methyl-8-azabicyclo(3.2.1)octan-3-yl) 3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrate
- CAS
- 5908-99-6
- CID
- 64663
- IUPAC 名称
- bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate);sulfuric acid;hydrate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (8-Methyl-8-azabicyclo(3.2.1)octan-3-yl) 3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrate
- CAS
- 5908-99-6
- CID
- 64663
- IUPAC 名称
- bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate);sulfuric acid;hydrate
分子属性
- 分子式
- C34H50N2O11S
- 分子量
- 694.8 g/mol
- 精确质量
- 694.31353159 Da
- 单同位素质量
- 694.31353159 Da
- XLogP
- 暂无
- 极性表面积
- 184 Ų
- 氢键供体
- 5
- 氢键受体
- 13
- 可旋转键
- 10
- 重原子数
- 48
- 净电荷
- 0
- 结构复杂度
- 434
结构标识
- InChIKey
- JPKKQJKQTPNWTR-UHFFFAOYSA-N
- SMILES
- CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O
- InChI
- InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2