60079-03-0 ((D-Valine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester)

CAS号:
60079-03-0
英文名称:
D-Valine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
分子式:
C16H22N2O6
分子量:
338.355684757233

D-Valine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester(60079-03-0)名称与标识符

名称

英文别名:
D-Valine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester;

标识符

InChIKey:
ALJZEMRUAOJSPP-CYBMUJFWSA-N
Inchi:
1S/C16H22N2O6/c1-10(2)13(17-15(20)24-16(3,4)5)14(19)23-12-8-6-11(7-9-12)18(21)22/h6-10,13H,1-5H3,(H,17,20)/t13-/m1/s1
SMILES:
C(OC1=CC=C([N+]([O-])=O)C=C1)(=O)[C@@H](C(C)C)NC(OC(C)(C)C)=O

D-Valine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester(60079-03-0)物化性质

实验特性

  • LogP : 3.96360
  • PSA : 110.45000
  • 沸点 : 476.8±30.0 °C(Predicted)
  • 酸度系数(pKa) : 10.78±0.46(Predicted)
  • 密度 : 1.191±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 338.14800

D-Valine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester(60079-03-0)上下游