108906-48-5 (b-D-吡喃葡萄糖苷,1-乙烯基-8,9-二羟基-1,5,9-三甲基-4-癸烯基(9CI),b-D-Glucopyranoside,1-ethenyl-8,9-dihydroxy-1,5,9-trimethyl-4-decenyl (9CI))

CAS号:
108906-48-5
中文名称:
b-D-吡喃葡萄糖苷,1-乙烯基-8,9-二羟基-1,5,9-三甲基-4-癸烯基(9CI)
英文名称:
b-D-Glucopyranoside,1-ethenyl-8,9-dihydroxy-1,5,9-trimethyl-4-decenyl (9CI)
分子式:
C21H38O8
分子量:
418.521627902985

b-D-吡喃葡萄糖苷,1-乙烯基-8,9-二羟基-1,5,9-三甲基-4-癸烯基(9CI)(108906-48-5)名称与标识符

名称

英文别名:
b-D-Glucopyranoside,1-ethenyl-8,9-dihydroxy-1,5,9-trimethyl-4-decenyl (9CI);beta-D-glucopyranoside, (4E,8S)-1-ethenyl-8,9-dihydroxy-1,5,9-trimethyl-4-decen-1-yl;1-Ethenyl-8,9-dihydroxy-1,5,9-trimethyl-4-decen-1-yl β-D-glucopyranoside;

标识符

InChIKey:
YMBIFCWAAQZSSV-VXFQYHORSA-N
Inchi:
1S/C21H38O8/c1-6-21(5,11-7-8-13(2)9-10-15(23)20(3,4)27)29-19-18(26)17(25)16(24)14(12-22)28-19/h6,8,14-19,22-27H,1,7,9-12H2,2-5H3/t14-,15?,16-,17+,18-,19+,21?/m1/s1
SMILES:
O(C(C=C)(C)CCC=C(C)CCC(O)C(O)(C)C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

b-D-吡喃葡萄糖苷,1-乙烯基-8,9-二羟基-1,5,9-三甲基-4-癸烯基(9CI)(108906-48-5)物化性质

实验特性

  • PSA : 139.84
  • 折射率 : 1.548
  • 沸点 : 625.348°C at 760 mmHg
  • 闪点 : 331.999°C
  • 酸度系数(pKa) : 12.91±0.70(Predicted)
  • 密度 : 1.216

计算特性

  • 精确分子量 : 418.25674
  • 氢键供体数量 : 6
  • 氢键受体数量 : 8
  • 重原子数量 : 29
  • 疏水参数计算参考值(XlogP) : 0.833