2,3,4,6-tetra-O-benzoyl-β-D-galactopyranosyl-(1->6)-2-O-acetyl-3,4-di-O-benzoyl-α-D-galactopyranosyl trichloroacetimidate | 634603-17-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3,4,6-tetra-O-benzoyl-β-D-galactopyranosyl-(1->6)-2-O-acetyl-3,4-di-O-benzoyl-α-D-galactopyranosyl trichloroacetimidate
• 英文别名: Bz(-2)[Bz(-3)][Bz(-4)][Bz(-6)]Gal(b1-6)[Bz(-3)][Bz(-4)]Gal2Ac(a)-O-C(NH)CCl3；[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-5-acetyloxy-3,4-dibenzoyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate
• CAS: 634603-17-1
• 化学式: C₅₈H₄₈Cl₃NO₁₈
• 分子量: 1153.37
• InChiKey: NPTCSXNBNOKCMT-HMRKFSGZSA-N

物化性质

• 沸点：
  1031.9±75.0 °C(predicted)
• 密度：
  1.41±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  80
• 可旋转键数：
  26
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  245
• 氢给体数：
  1
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  4-methoxyphenyl 2,3,4-tri-O-benzoyl-β-D-galactopyranoside 、 2,3,4,6-tetra-O-benzoyl-β-D-galactopyranosyl-(1->6)-2-O-acetyl-3,4-di-O-benzoyl-α-D-galactopyranosyl trichloroacetimidate 在 三氟甲磺酸三甲基硅酯 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以80%的产率得到4-methoxyphenyl 2,3,4,6-tetra-O-benzoyl-β-D-galactopyranosyl-(1->6)-2-O-acetyl-3,4-di-O-benzoyl-β-D-galactopyranosyl-(1->6)-2,3,4-tri-O-benzoyl-β-D-galactopyranoside
  参考文献：
  名称：

  Domain decomposition methods of dual-primal FETI type for edge element approximations in three dimensions

  摘要：

  We consider domain decomposition algorithms of FETI type for edge element approximations in three dimensions. We first show that a strong coupling exists between tangential degrees of freedom associated to the subdomain edges and faces. We then propose a dual-primal FETI algorithm that relies on a change of basis and on a suitable choice of a coarse space. We give a logarithmic bound for the condition number of the resulting preconditioned operator. Numerical results confirm this bound and the necessity of performing a change of basis. (C) 2004 Academie des sciences. Published by Elsevier SAS. All fights reserved.

  DOI：

  10.1016/j.crma.2004.09.021
• 作为产物：
  描述：

  2,3,4,6-tetra-O-benzoyl-1-O-trichloroacetimidoyl-α-D-galactopyranose 在 ammonium cerium(IV) nitrate 、 三氟甲磺酸三甲基硅酯 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 2.5h， 生成 2,3,4,6-tetra-O-benzoyl-β-D-galactopyranosyl-(1->6)-2-O-acetyl-3,4-di-O-benzoyl-α-D-galactopyranosyl trichloroacetimidate
  参考文献：
  名称：

  Domain decomposition methods of dual-primal FETI type for edge element approximations in three dimensions

  摘要：

  We consider domain decomposition algorithms of FETI type for edge element approximations in three dimensions. We first show that a strong coupling exists between tangential degrees of freedom associated to the subdomain edges and faces. We then propose a dual-primal FETI algorithm that relies on a change of basis and on a suitable choice of a coarse space. We give a logarithmic bound for the condition number of the resulting preconditioned operator. Numerical results confirm this bound and the necessity of performing a change of basis. (C) 2004 Academie des sciences. Published by Elsevier SAS. All fights reserved.

  DOI：

  10.1016/j.crma.2004.09.021