Sodium 5-acetamido-4-hydroxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
Sodium 5-acetamido-4-hydroxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate · CAS 76204-02-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Sodium 5-acetamido-4-hydroxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
- CAS
- 76204-02-9
- CID
- 4658389
- IUPAC 名称
- sodium 5-acetamido-4-hydroxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Sodium 5-acetamido-4-hydroxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
- CAS
- 76204-02-9
- CID
- 4658389
- IUPAC 名称
- sodium 5-acetamido-4-hydroxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
分子属性
- 分子式
- C21H24NNaO11
- 分子量
- 489.4 g/mol
- 精确质量
- 489.12470486 Da
- 单同位素质量
- 489.12470486 Da
- XLogP
- 暂无
- 极性表面积
- 195 Ų
- 氢键供体
- 5
- 氢键受体
- 11
- 可旋转键
- 7
- 重原子数
- 34
- 净电荷
- 0
- 结构复杂度
- 808
结构标识
- InChIKey
- NNNXBDLJYKMDAI-UHFFFAOYSA-M
- SMILES
- CC1=CC(=O)OC2=C1C=CC(=C2)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-].[Na+]
- InChI
- InChI=1S/C21H25NO11.Na/c1-9-5-16(27)31-15-6-11(3-4-12(9)15)32-21(20(29)30)7-13(25)17(22-10(2)24)19(33-21)18(28)14(26)8-23;/h3-6,13-14,17-19,23,25-26,28H,7-8H2,1-2H3,(H,22,24)(H,29,30);/q;+1/p-1