108787-48-0 ((D-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-[(phenylmethoxy)methyl]-)

CAS号:
108787-48-0
英文名称:
D-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-[(phenylmethoxy)methyl]-
分子式:
C19H25N3O5
分子量:
375.41890501976

D-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-[(phenylmethoxy)methyl]-(108787-48-0)名称与标识符

名称

英文别名:
D-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-[(phenylmethoxy)methyl]-;

标识符

InChIKey:
IEAOAWZLUGOPJX-MRXNPFEDSA-N
Inchi:
1S/C19H25N3O5/c1-19(2,3)27-18(25)21-16(17(23)24)9-15-10-22(12-20-15)13-26-11-14-7-5-4-6-8-14/h4-8,10,12,16H,9,11,13H2,1-3H3,(H,21,25)(H,23,24)/t16-/m1/s1
SMILES:
C(O)(=O)[C@@H](CC1N=CN(COCC2=CC=CC=C2)C=1)NC(OC(C)(C)C)=O

D-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-[(phenylmethoxy)methyl]-(108787-48-0)物化性质

实验特性

  • PSA : 102.68
  • 沸点 : 595.3±50.0 °C(Predicted)
  • 酸度系数(pKa) : 3.16±0.10(Predicted)
  • 密度 : 1.21±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 375.17955