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3-carboxy-3,6-dihydroxy-6-oxo-hexanoate; 2-hydroxyethyl-trimethyl-azanium; 2-trimethylammonioacetate | 17176-43-1

3-carboxy-3,6-dihydroxy-6-oxo-hexanoate; 2-hydroxyethyl-trimethyl-azanium; 2-trimethylammonioacetate结构式图片|17176-43-1结构式图片
3-carboxy-3,6-dihydroxy-6-oxo-hexanoate; 2-hydroxyethyl-trimethyl-azanium; 2-trimethylammonioacetate
17176-43-1
C24H54N4O12
590.705168247223
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:3-carboxy-3,6-dihydroxy-6-oxo-hexanoate; 2-hydroxyethyl-trimethyl-azanium; 2-trimethylammonioacetate结构式
名称和标识符
InChIKey FBKOEKCFEOIYKS-YDTDZXAPSA-L
Inchi 1S/2C5H11NO2.2C5H14NO.C4H6O6/c2*1-6(2,3)4-5(7)8;2*1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h2*4H2,1-3H3;2*7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q;;2*+1;/p-2/t;;;;1-,2-/m....1/s1
SMILES [O-]C(C[N+](C)(C)C)=O.OCC[N+](C)(C)C.[O-]C(C[N+](C)(C)C)=O.OCC[N+](C)(C)C.C([O-])(=O)[C@@H]([C@H](C([O-])=O)O)O
别名信息
- 中文别名 -
- 英文别名 -
  • 3-carboxy-3,6-dihydroxy-6-oxohexanoate,2-hydroxyethyl(trimethyl)azanium,2-(trimethylazaniumyl)acetate
  • betaine choline [R-(R*,R*)]-tartrate
  • 2-hydroxyethyl-trimethyl-azanium
  • 2-trimethylammonioacetate
  • 3-carboxy-3,6-dihydroxy-6-oxo-hexanoate
  • EINECS 241-225-6
物化性质
实验特性
LogP -8.53720
PSA 241.44000
计算特性
精确分子量 590.37400
国际标准相关数据
EINECS 241-225-6
3-carboxy-3,6-dihydroxy-6-oxo-hexanoate; 2-hydroxyethyl-trimethyl-azanium; 2-trimethylammonioacetate推荐生产厂家
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