4-Hydroxy-3-(10-hydroxydecyl)-5,6-dimethoxy-2-methylphenyl beta-D-glucuronide monosodium salt
4-Hydroxy-3-(10-hydroxydecyl)-5,6-dimethoxy-2-methylphenyl beta-D-glucuronide monosodium salt · CAS 153010-37-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 4-Hydroxy-3-(10-hydroxydecyl)-5,6-dimethoxy-2-methylphenyl beta-D-glucuronide monosodium salt
- CAS
- 153010-37-8
- CID
- 71749072
- IUPAC 名称
- sodium (2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[4-hydroxy-5-(10-hydroxydecyl)-2,3-dimethoxy-6-methylphenoxy]oxane-2-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 4-Hydroxy-3-(10-hydroxydecyl)-5,6-dimethoxy-2-methylphenyl beta-D-glucuronide monosodium salt
- CAS
- 153010-37-8
- CID
- 71749072
- IUPAC 名称
- sodium (2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[4-hydroxy-5-(10-hydroxydecyl)-2,3-dimethoxy-6-methylphenoxy]oxane-2-carboxylate
分子属性
- 分子式
- C25H39NaO11
- 分子量
- 538.6 g/mol
- 精确质量
- 538.23900634 Da
- 单同位素质量
- 538.23900634 Da
- XLogP
- 暂无
- 极性表面积
- 178 Ų
- 氢键供体
- 5
- 氢键受体
- 11
- 可旋转键
- 15
- 重原子数
- 37
- 净电荷
- 0
- 结构复杂度
- 642
结构标识
- InChIKey
- DDIQXOHNZDVJLR-UQDBSXALSA-M
- SMILES
- CC1=C(C(=C(C(=C1O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)[O-])O)O)O)OC)OC)O)CCCCCCCCCCO.[Na+]
- InChI
- InChI=1S/C25H40O11.Na/c1-14-15(12-10-8-6-4-5-7-9-11-13-26)16(27)21(33-2)23(34-3)20(14)35-25-19(30)17(28)18(29)22(36-25)24(31)32;/h17-19,22,25-30H,4-13H2,1-3H3,(H,31,32);/q;+1/p-1/t17-,18-,19+,22-,25+;/m1./s1