(1S,3S,5R,6R,8R,10R,11S,13S,15R,16R,18R,20R,21S,23S,25R,26R,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3S,5R,6R,8R,10R,11S,13S,15R,16R,18R,20R,21S,23S,25R,26R,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
• 化学式: C₃₆H₆₀O₃₀
• 分子量: 972.854
• InChiKey: HFHDHCJBZVLPGP-NBMGMONVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.9
• 重原子数：
  66
• 可旋转键数：
  6
• 环数：
  22.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  475
• 氢给体数：
  18
• 氢受体数：
  30

反应信息

• 作为产物：
  描述：

  在 palladium dihydroxide 氢气 作用下， 以 甲醇 、 水 、 乙酸乙酯 为溶剂， 生成 (1S,3S,5R,6R,8R,10R,11S,13S,15R,16R,18R,20R,21S,23S,25R,26R,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
  参考文献：
  名称：

  Cyclo-glycosylation of (1→4)-linked glycohexaoses: Synthesis of cyclo-lactohexaose

  摘要：

  Cyclo-glycosylation of (2,3,6-tri-O-benzyl-beta-D-galactopyranosyl)-{(1-->4)-(2,3,6-tri-O-benzyl-beta-D-glucopyranosyl) -(1-->4)-(2,3,6-tri-O-benzyl-alpha-D-galactopyranosyl))2-(1-->4)-(2,3,6-tri-O-benzyl-alpha/beta-glucopyranosyl fluoride and subsequent deprotection of the product gave an excellent yield of cyclo-lactohexaose.

  DOI：

  10.1016/s0040-4039(00)60374-x

文献信息

• Cyclo-glycosylation of (1→4)-linked glycohexaoses: Synthesis of cyclo-lactohexaose
  作者：Hiroki Kuyama、Tomoo Nukada、Yoshiaki Nakahara、Tomoya Ogawa

  DOI：10.1016/s0040-4039(00)60374-x

  日期：1993.3

  Cyclo-glycosylation of (2,3,6-tri-O-benzyl-beta-D-galactopyranosyl)-(1-->4)-(2,3,6-tri-O-benzyl-beta-D-glucopyranosyl) -(1-->4)-(2,3,6-tri-O-benzyl-alpha-D-galactopyranosyl))2-(1-->4)-(2,3,6-tri-O-benzyl-alpha/beta-glucopyranosyl fluoride and subsequent deprotection of the product gave an excellent yield of cyclo-lactohexaose.