13933-94-3 ((L-Valine,N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-)

CAS号:
13933-94-3
英文名称:
L-Valine,N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-
分子式:
C13H18N2O4
分子量:
266.293023586273

L-Valine,N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-(13933-94-3)名称与标识符

名称

英文别名:
L-Valine,N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-;L-Valine, N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-;

标识符

InChIKey:
FDVIWMOCISPIHI-NSHDSACASA-N
Inchi:
1S/C13H18N2O4/c1-7(2)11(13(18)19)15-5-10-9(6-16)4-14-8(3)12(10)17/h4-5,7,11,16-17H,6H2,1-3H3,(H,18,19)/t11-/m0/s1
SMILES:
C(O)(=O)[C@H](C(C)C)N=CC1C(CO)=CN=C(C)C=1O

L-Valine,N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-(13933-94-3)物化性质

实验特性

  • PSA : 103.01
  • 沸点 : 552.4±50.0 °C(Predicted)
  • 酸度系数(pKa) : 3.63±0.10(Predicted)
  • 密度 : 1.27±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 266.12674