Acetic acid (3R,4S,5R,6S)-5-((2S,3R,4S,5S,6R)-4,5-diacetoxy-3-ethoxy-6-ethoxymethyl-tetrahydro-pyran-2-yloxy)-4-ethoxy-2-ethylsulfanyl-6-hydroxymethyl-tetrahydro-pyran-3-yl ester | 209802-69-7

• 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
• 英文名称: Acetic acid (3R,4S,5R,6S)-5-((2S,3R,4S,5S,6R)-4,5-diacetoxy-3-ethoxy-6-ethoxymethyl-tetrahydro-pyran-2-yloxy)-4-ethoxy-2-ethylsulfanyl-6-hydroxymethyl-tetrahydro-pyran-3-yl ester
• CAS: 209802-69-7
• 化学式: C₂₆H₄₄O₁₃S
• 分子量: 596.694
• InChiKey: YRFBDHXACKVKEN-OCZFQQNASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.21
• 重原子数：
  40.0
• 可旋转键数：
  15.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  154.51
• 氢给体数：
  1.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  Acetic acid (3R,4S,5R,6S)-5-((2S,3R,4S,5S,6R)-4,5-diacetoxy-3-ethoxy-6-ethoxymethyl-tetrahydro-pyran-2-yloxy)-4-ethoxy-2-ethylsulfanyl-6-hydroxymethyl-tetrahydro-pyran-3-yl ester 在 吡啶 、 甲醇 、 N-碘代丁二酰亚胺 、 三氟甲磺酸 、 potassium tert-butylate 、 对甲苯磺酸 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 21.0h， 生成
  参考文献：
  名称：

  In vitro evaluation of synthetic heparin-like conjugates comprising different thrombin binding domains

  摘要：

  The syntheses of several heparin-like glycoconjugates (i.e., 16a-f) containing identical AT III binding domains (ABD) and spacers but different thrombin binding domains (TBDs) are described.(1) Biological activities of conjugates 16a-f indicate that the thrombin inhibitory activity is mainly determined by the charge density of the TBD moiety. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00196-6
• 作为产物：
  描述：

  Acetic acid (1S,2R,3S,4R)-2-((2S,3R,4S,5S,6R)-4,5-diacetoxy-3-ethoxy-6-ethoxymethyl-tetrahydro-pyran-2-yloxy)-3-ethoxy-6,8-dioxa-bicyclo[3.2.1]oct-4-yl ester 在 三氟化硼乙醚 、 乙酸酐 、 溶剂黄146 、 三氟乙酸 作用下， 以 甲苯 为溶剂， 反应 16.5h， 生成 Acetic acid (3R,4S,5R,6S)-5-((2S,3R,4S,5S,6R)-4,5-diacetoxy-3-ethoxy-6-ethoxymethyl-tetrahydro-pyran-2-yloxy)-4-ethoxy-2-ethylsulfanyl-6-hydroxymethyl-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  In vitro evaluation of synthetic heparin-like conjugates comprising different thrombin binding domains

  摘要：

  The syntheses of several heparin-like glycoconjugates (i.e., 16a-f) containing identical AT III binding domains (ABD) and spacers but different thrombin binding domains (TBDs) are described.(1) Biological activities of conjugates 16a-f indicate that the thrombin inhibitory activity is mainly determined by the charge density of the TBD moiety. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00196-6