1228508-31-3 ((D-Glucitol, 1-deoxy-1,1-bis[3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-6-oxo-1,4-cyclohexadien-1-yl]-)

CAS号:
1228508-31-3
英文名称:
D-Glucitol, 1-deoxy-1,1-bis[3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-6-oxo-1,4-cyclohexadien-1-yl]-
分子式:
C48H54O27
分子量:
1062.92617750168

D-Glucitol, 1-deoxy-1,1-bis[3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-6-oxo-1,4-cyclohexadien-1-yl]-(1228508-31-3)名称与标识符

名称

英文别名:
D-Glucitol, 1-deoxy-1,1-bis[3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-6-oxo-1,4-cyclohexadien-1-yl]-;

标识符

InChIKey:
WBKUQZJRZIYAJL-ODWBHOJSSA-N
Inchi:
1S/C48H54O27/c49-13-22(56)30(57)36(63)35(62)27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(68)47(72,43(28)70)45-39(66)37(64)31(58)23(14-50)74-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(69)48(73,44(29)71)46-40(67)38(65)32(59)24(15-51)75-46/h1-12,22-24,27,30-32,35-40,45-46,49-53,56-59,62-73H,13-15H2/b11-5+,12-6+/t22-,23-,24-,27?,30-,31-,32-,35+,36+,37+,38+,39-,40-,45-,46-,47?,48?/m1/s1
SMILES:
C(C1C(C(=C(C([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C=1O)O)O)C(=O)/C=C/C1C=CC(=CC=1)O)=O)(C1C(C(=C(C([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C=1O)O)O)C(=O)/C=C/C1C=CC(=CC=1)O)=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

D-Glucitol, 1-deoxy-1,1-bis[3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-6-oxo-1,4-cyclohexadien-1-yl]-(1228508-31-3)物化性质

实验特性

  • 沸点 : 1580.044±65.00 °C(Press: 760.00 Torr)(predicted)
  • 酸度系数(pKa) : 4.199±1.00(predicted)
  • 密度 : 1.886±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)