| 1237742-73-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1237742-73-2
• 化学式: C₅₆H₉₁N₃O₄₅
• 分子量: 1526.33
• InChiKey: KCUFOCVHQZMWAT-ZIUMKFOXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -18.42
• 重原子数：
  104.0
• 可旋转键数：
  26.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  729.02
• 氢给体数：
  25.0
• 氢受体数：
  48.0

反应信息

• 作为反应物：
  描述：

  在 endo-β-1,4-glucanase III from Trichoderma reesei 、 水 作用下， 生成 [α-D-xylopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->2)-α-D-xylopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->2)-α-D-xylopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->4)-α,β-D-glucopyranose 、 4,6-二甲氧基-1,3,5-三嗪-2(1H)-酮
  参考文献：
  名称：

  4,6-Dimethoxy-1,3,5-triazine oligoxyloglucans: Novel one-step preparable substrates for studying action of endo-β-1,4-glucanase III from Trichoderma reesei

  摘要：

  Two kinds of 4,6-dimethoxy-1,3,5-triazine (DMT) oligoxyloglucans, DMT-beta-XXXG and DMT-beta-XLLG, have been synthesized via one-step procedure starting from the corresponding unprotected oligoxyloglucans in water. The resulting DMT derivatives were found to be hydrolyzed by endo-beta-1,4-D-glucanase III from Trichoderma reesei (EGIII) and utilized as substrates for determination of the kinetic parameters of EGIII. The present DMT-method would be a convenient analytical tool for studying the action of glycosyl hydrolases due to the extremely simple synthetic process of DMT-glycosides without using protecting groups. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.122
• 作为产物：
  描述：

  [α-D-xylopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->2)-α-D-xylopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->2)-α-D-xylopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->4)-α,β-D-glucopyranose 、 4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐 在 2,6-二甲基吡啶 作用下， 以 水 为溶剂， 以36%的产率得到
  参考文献：
  名称：

  4,6-Dimethoxy-1,3,5-triazine oligoxyloglucans: Novel one-step preparable substrates for studying action of endo-β-1,4-glucanase III from Trichoderma reesei

  摘要：

  Two kinds of 4,6-dimethoxy-1,3,5-triazine (DMT) oligoxyloglucans, DMT-beta-XXXG and DMT-beta-XLLG, have been synthesized via one-step procedure starting from the corresponding unprotected oligoxyloglucans in water. The resulting DMT derivatives were found to be hydrolyzed by endo-beta-1,4-D-glucanase III from Trichoderma reesei (EGIII) and utilized as substrates for determination of the kinetic parameters of EGIII. The present DMT-method would be a convenient analytical tool for studying the action of glycosyl hydrolases due to the extremely simple synthetic process of DMT-glycosides without using protecting groups. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.122