33302-94-2 ((1H-Pyrrole-3-carboxylic acid, 2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-, methyl ester)

CAS号:
33302-94-2
英文名称:
1H-Pyrrole-3-carboxylic acid, 2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-, methyl ester
分子式:
C11H17NO6
分子量:
259.25578379631

1H-Pyrrole-3-carboxylic acid, 2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-, methyl ester(33302-94-2)名称与标识符

名称

英文别名:
1H-Pyrrole-3-carboxylic acid, 2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-, methyl ester;

标识符

InChIKey:
HWWNEIRLWYPRMK-OPRDCNLKSA-N
Inchi:
1S/C11H17NO6/c1-5-6(11(17)18-2)3-7(12-5)9(15)10(16)8(14)4-13/h3,8-10,12-16H,4H2,1-2H3/t8-,9-,10-/m1/s1
SMILES:
N1C([C@@H](O)[C@H](O)[C@H](O)CO)=CC(C(OC)=O)=C1C

1H-Pyrrole-3-carboxylic acid, 2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-, methyl ester(33302-94-2)物化性质

实验特性

  • 沸点 : 580.2±50.0 °C(Predicted)
  • 酸度系数(pKa) : 13.52±0.20(Predicted)
  • 密度 : 1.446±0.06 g/cm3(Predicted)