| 188435-20-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 188435-20-3
• 化学式: C₆₀H₆₆F₃NO₁₈
• 分子量: 1146.18
• InChiKey: AHJWUPBMJNOZCZ-HTUNMHRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.27
• 重原子数：
  82.0
• 可旋转键数：
  27.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  228.37
• 氢给体数：
  2.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  ethyl O-(2,3,4,6-tetra-O-benzoyl-α-D-galactopyranosyl)-(1-> 2)-O-3,4,6,7-tetra-O-benzyl-1-thio-L-glycero-α-D-manno-heptopyranoside 、 在 molecular sieve 、 DMTST 作用下， 以 乙醚 为溶剂， 以73%的产率得到2-(4-trifluoroacetamidophenyl)ethyl O-(2,3,4,6-tetra-O-benzoyl-α-D-galactopyranosyl)-(1-> 2)-O-(3,4,6,7-tetra-O-benzyl-L-glycero-α-D-manno-heptopyranosyl)-(1-> 2)-O-(3,4,6,7-tetra-O-benzyl-L-glycero-α-D-manno-heptopyranosyl)-(1-> 3)-2,4,6,7-tet...
  参考文献：
  名称：

  Synthesis of L-glycero-D-manno-heptopyranose-containing oligosaccharide structures found in lipopolysaccharides from Haemophilus influenzae

  摘要：

  Syntheses are described of the tetrasaccharide 2-(4-trifluoroacetamidophenyl)ethyl O-(beta-D-galactopyranosyl)-(1 --> 2)-O-(L-glycero-alpha-D-manno-heptopyranosyl)-(1 --> 2)-O-(L-glycero-alpha-D--manno-heptopyranosyl)-(1 --> 3)-L-glycero-alpha-D-mnnno-heptopyranoside (20) and the three trisaccharides 2-(4-trifluoroacetamidophenyl)ethyl O-(L-glycero-alpha-D-manno-heptopyranosyl)-(1 --> 2)-O-(L-glycero-alpha-D-manno-heptopyranosl)-(1 --> 3)-L-glycero-alpha-D-manno-heptopyranoside(17), 2-(4-trifluoroacetamidophenyl)ethyl O-(beta-D-glucopyranosyl)-(1 --> 4)-O-(beta-D-glucopyranosyl)-(1 --> 4)-L-glycero-alpha-D-manno-heptopyranoside (5), and 2-(4-trifluoroacetamidophenyl)ethyl O-(beta-D-galactopyranosyl)-(1 --> 4)-O-(beta-D-glucopyranosyl)-(1 --> 4)-L-glycero-alpha-D-manno-heptopyranoside (8), corresponding to structures found in the lipooligosaccharides of Haemophilus influenzae. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0008-6215(96)00275-3
• 作为产物：
  描述：

  1,2-O-(1-methoxy)ethylidene-3,4,6,7-tetra-O-benzyl-L-glycero-β-D-manno-heptopyranose 在 三氟甲磺酸三甲基硅酯 、 4 A molecular sieve 、 sodium methylate 、 sodium hydride 、 DMTST 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 甲醇 、 乙醚 、 硝基甲烷 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成
  参考文献：
  名称：

  Synthesis of L-glycero-D-manno-heptopyranose-containing oligosaccharide structures found in lipopolysaccharides from Haemophilus influenzae

  摘要：

  Syntheses are described of the tetrasaccharide 2-(4-trifluoroacetamidophenyl)ethyl O-(beta-D-galactopyranosyl)-(1 --> 2)-O-(L-glycero-alpha-D-manno-heptopyranosyl)-(1 --> 2)-O-(L-glycero-alpha-D--manno-heptopyranosyl)-(1 --> 3)-L-glycero-alpha-D-mnnno-heptopyranoside (20) and the three trisaccharides 2-(4-trifluoroacetamidophenyl)ethyl O-(L-glycero-alpha-D-manno-heptopyranosyl)-(1 --> 2)-O-(L-glycero-alpha-D-manno-heptopyranosl)-(1 --> 3)-L-glycero-alpha-D-manno-heptopyranoside(17), 2-(4-trifluoroacetamidophenyl)ethyl O-(beta-D-glucopyranosyl)-(1 --> 4)-O-(beta-D-glucopyranosyl)-(1 --> 4)-L-glycero-alpha-D-manno-heptopyranoside (5), and 2-(4-trifluoroacetamidophenyl)ethyl O-(beta-D-galactopyranosyl)-(1 --> 4)-O-(beta-D-glucopyranosyl)-(1 --> 4)-L-glycero-alpha-D-manno-heptopyranoside (8), corresponding to structures found in the lipooligosaccharides of Haemophilus influenzae. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0008-6215(96)00275-3