(2R,3R,4R,5S,6R)-6-[2-[4-[(4-chlorophenyl)-hydroxymethyl]phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
(2R,3R,4R,5S,6R)-6-[2-[4-[(4-chlorophenyl)-hydroxymethyl]phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid · CAS 168844-25-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2R,3R,4R,5S,6R)-6-[2-[4-[(4-chlorophenyl)-hydroxymethyl]phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- CAS
- 168844-25-5
- CID
- 71316722
- IUPAC 名称
- (2R,3R,4R,5S,6R)-6-[2-[4-[(4-chlorophenyl)-hydroxymethyl]phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2R,3R,4R,5S,6R)-6-[2-[4-[(4-chlorophenyl)-hydroxymethyl]phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- CAS
- 168844-25-5
- CID
- 71316722
- IUPAC 名称
- (2R,3R,4R,5S,6R)-6-[2-[4-[(4-chlorophenyl)-hydroxymethyl]phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
分子属性
- 分子式
- C23H25ClO10
- 分子量
- 496.9 g/mol
- 精确质量
- 496.1136247 Da
- 单同位素质量
- 496.1136247 Da
- XLogP
- 2
- 极性表面积
- 163 Ų
- 氢键供体
- 5
- 氢键受体
- 10
- 可旋转键
- 8
- 重原子数
- 34
- 净电荷
- 0
- 结构复杂度
- 702
结构标识
- InChIKey
- UJNGWDHZBYRDRO-ZFDAFNFFSA-N
- SMILES
- CC(C)(C(=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)Cl)O
- InChI
- InChI=1S/C23H25ClO10/c1-23(2,22(31)33-21-18(28)16(26)17(27)19(32-21)20(29)30)34-14-9-5-12(6-10-14)15(25)11-3-7-13(24)8-4-11/h3-10,15-19,21,25-28H,1-2H3,(H,29,30)/t15?,16-,17-,18+,19-,21-/m1/s1