allyl 2-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-4,6-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-α-D-glucopyranoside | 156325-39-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: allyl 2-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-4,6-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-α-D-glucopyranoside
• CAS: 156325-39-2
• 化学式: C₃₆H₆₂N₂O₁₆Si₂
• 分子量: 835.063
• InChiKey: CHQGIXFRKMUTAJ-LOFCWBBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.38
• 重原子数：
  56.0
• 可旋转键数：
  15.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  224.93
• 氢给体数：
  2.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  allyl 2-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-4,6-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-α-D-glucopyranoside 在 sodium acetate 、 palladium dichloride 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 21.0h， 以71%的产率得到2-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-4,6-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-α-D-glucopyranoside
  参考文献：
  名称：

  Structural analogues of the antibiotic moenomycin a with a D-glucose-derived unit F

  摘要：

  Disaccharide derivative 1a is the smallest transglycosylase inhibiting compound known up to now. Structurally closely related compounds 11b and 19c have been synthesized. They do not inhibit the transglycosylase demonstrating the high specificity of the interaction between inhibitor 1a and the binding-site at the enzyme.

  DOI：

  10.1016/s0040-4020(01)85066-3
• 作为产物：
  描述：

  4,6-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-α-D-glucopyranoside 在 potassium carbonate 、 对甲苯磺酸 作用下， 以 甲醇 、 硝基甲烷 、 二氯甲烷 、 甲苯 为溶剂， 反应 282.67h， 生成 allyl 2-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-4,6-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-α-D-glucopyranoside
  参考文献：
  名称：

  Structural analogues of the antibiotic moenomycin a with a D-glucose-derived unit F

  摘要：

  Disaccharide derivative 1a is the smallest transglycosylase inhibiting compound known up to now. Structurally closely related compounds 11b and 19c have been synthesized. They do not inhibit the transglycosylase demonstrating the high specificity of the interaction between inhibitor 1a and the binding-site at the enzyme.

  DOI：

  10.1016/s0040-4020(01)85066-3