(3S,6S)-6-[[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]-3-pyridinyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(3S,6S)-6-[[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]-3-pyridinyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid · CAS 288853-59-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3S,6S)-6-[[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]-3-pyridinyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- CAS
- 288853-59-8
- CID
- 46781899
- IUPAC 名称
- (3S,6S)-6-[[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]-3-pyridinyl]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
- (3S,6S)-6-[[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]-3-pyridinyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- CAS
- 288853-59-8
- CID
- 46781899
- IUPAC 名称
- (3S,6S)-6-[[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]-3-pyridinyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
分子属性
- 分子式
- C24H27N3O10S
- 分子量
- 549.6 g/mol
- 精确质量
- 549.14171524 Da
- 单同位素质量
- 549.14171524 Da
- XLogP
- 1.2
- 极性表面积
- 213 Ų
- 氢键供体
- 5
- 氢键受体
- 13
- 可旋转键
- 10
- 重原子数
- 38
- 净电荷
- 0
- 结构复杂度
- 844
结构标识
- InChIKey
- QGESYIGEZXWVIN-DTNKGURLSA-N
- SMILES
- CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=NC=C(C=C3)O[C@H]4C(C([C@@H](C(O4)C(=O)O)O)O)O
- InChI
- InChI=1S/C24H27N3O10S/c1-27(8-9-35-13-4-2-12(3-5-13)10-15-21(31)26-24(34)38-15)16-7-6-14(11-25-16)36-23-19(30)17(28)18(29)20(37-23)22(32)33/h2-7,11,15,17-20,23,28-30H,8-10H2,1H3,(H,32,33)(H,26,31,34)/t15?,17?,18-,19?,20?,23+/m0/s1