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
17176-43-1
C24H54N4O12
590.705168247223
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
- 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
物化性质
实验特性
LogP |
-8.53720 |
PSA |
241.44000 |
计算特性
3-carboxy-3,6-dihydroxy-6-oxo-hexanoate; 2-hydroxyethyl-trimethyl-azanium; 2-trimethylammonioacetate推荐生产厂家