233604-90-5 ((β-D-Glucopyranosiduronic acid, 4-[(1E)-2-carboxyethenyl]-2,6-dimethoxyphenyl)

CAS号:
233604-90-5
英文名称:
β-D-Glucopyranosiduronic acid, 4-[(1E)-2-carboxyethenyl]-2,6-dimethoxyphenyl
分子式:
C17H20O11
分子量:
400.334106445313

β-D-Glucopyranosiduronic acid, 4-[(1E)-2-carboxyethenyl]-2,6-dimethoxyphenyl(233604-90-5)名称与标识符

名称

英文别名:
β-D-Glucopyranosiduronic acid, 4-[(1E)-2-carboxyethenyl]-2,6-dimethoxyphenyl;

标识符

InChIKey:
SVMPWPWAQOHKHG-OGUZRXNMSA-N
Inchi:
1S/C17H20O11/c1-25-8-5-7(3-4-10(18)19)6-9(26-2)14(8)27-17-13(22)11(20)12(21)15(28-17)16(23)24/h3-6,11-13,15,17,20-22H,1-2H3,(H,18,19)(H,23,24)/b4-3+/t11-,12-,13+,15-,17+/m0/s1
SMILES:
O(C1=C(OC)C=C(/C=C/C(O)=O)C=C1OC)[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O

β-D-Glucopyranosiduronic acid, 4-[(1E)-2-carboxyethenyl]-2,6-dimethoxyphenyl(233604-90-5)物化性质

实验特性

  • 沸点 : 707.9±60.0 °C(Predicted)
  • 熔点 : 208-210 °C (decomp)
  • 酸度系数(pKa) : 2.75±0.70(Predicted)
  • 密度 : 1.577±0.06 g/cm3(Predicted)