sucrose | 1428146-77-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: sucrose
• 英文别名: (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(dec-9-ynoxy)-2,5-bis(dec-9-ynoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(dec-9-ynoxy)-6-(dec-9-ynoxymethyl)oxane
• CAS: 1428146-77-3
• 化学式: C₉₂H₁₅₀O₁₁
• 分子量: 1432.2
• InChiKey: DYXOFFYFVUIGRI-MGEPBVMCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.4
• 重原子数：
  103
• 可旋转键数：
  77
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  、 sucrose 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 96.0h， 生成 sucrose
  参考文献：
  名称：

  Demonstration of a sucrose-derived contrast agent for magnetic resonance imaging of the GI tract

  摘要：

  A scaffold bearing eight terminal alkyne groups was synthesized from sucrose, and copies of an azide-terminated Gd-DOTA complex were attached via copper(I)-catalyzed azide-alkyne cycloaddition. The resulting contrast agent (CA) was administered by gavage to C3H mice. Passage of the CA through the gastrointestinal (GI) tract was followed by T-1-weighted magnetic resonance imaging (MRI) over a period of 47 h, by which time the CA had exited the GI tract. No evidence for leakage of the CA from the GI tract was observed. Thus, a new, orally administered CA for MRI of the GI tract has been developed and successfully demonstrated. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.008
• 作为产物：
  描述：

  10-bromodec-1-yne 、 蔗糖 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 反应 37.0h， 以68%的产率得到sucrose
  参考文献：
  名称：

  Demonstration of a sucrose-derived contrast agent for magnetic resonance imaging of the GI tract

  摘要：

  A scaffold bearing eight terminal alkyne groups was synthesized from sucrose, and copies of an azide-terminated Gd-DOTA complex were attached via copper(I)-catalyzed azide-alkyne cycloaddition. The resulting contrast agent (CA) was administered by gavage to C3H mice. Passage of the CA through the gastrointestinal (GI) tract was followed by T-1-weighted magnetic resonance imaging (MRI) over a period of 47 h, by which time the CA had exited the GI tract. No evidence for leakage of the CA from the GI tract was observed. Thus, a new, orally administered CA for MRI of the GI tract has been developed and successfully demonstrated. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.008