Magnesium 2-[3-[3-[1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoate
Magnesium 2-[3-[3-[1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoate · CAS 122021-74-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Magnesium 2-[3-[3-[1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoate
- CAS
- 122021-74-3
- CID
- 119176
- IUPAC 名称
- magnesium 2-[3-[3-[1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Magnesium 2-[3-[3-[1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoate
- CAS
- 122021-74-3
- CID
- 119176
- IUPAC 名称
- magnesium 2-[3-[3-[1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoate
分子属性
- 分子式
- C36H28MgO16
- 分子量
- 740.9 g/mol
- 精确质量
- 740.1227765 Da
- 单同位素质量
- 740.1227765 Da
- XLogP
- 暂无
- 极性表面积
- 284 Ų
- 氢键供体
- 7
- 氢键受体
- 16
- 可旋转键
- 12
- 重原子数
- 53
- 净电荷
- 0
- 结构复杂度
- 1280
结构标识
- InChIKey
- ANUBYMNVOPVATP-UHFFFAOYSA-L
- SMILES
- C1=CC(=C(C=C1CC(C(=O)[O-])OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)[O-])O)O.[Mg+2]
- InChI
- InChI=1S/C36H30O16.Mg/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17;/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48);/q;+2/p-2