(1R,2R)-2-(2-hydroxy-1-naphthalenecarbonyloxy)-1-cyclopentanol

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (1R,2R)-2-(2-hydroxy-1-naphthalenecarbonyloxy)-1-cyclopentanol
• 化学式: C₁₆H₁₆O₄
• 分子量: 272.301
• InChiKey: BUJCEWBJLMJHDU-TZMCWYRMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.62
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  66.76
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (±)-反-1,2-环戊二醇 、 2-羟基-1-萘甲酸 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成 (1R,2R)-2-(2-hydroxy-1-naphthalenecarbonyloxy)-1-cyclopentanol
  参考文献：
  名称：

  Synthesis and binding of simple neocarzinostatin chromophore analogues to the apoprotein

  摘要：

  Synthetic analogues (3-5, 8-10) of neocarzinostatin chromophore (1) are found to bind to the apoprotein with high affinity. Their binding energies suggest that the naphthoate moiety of 1 is essential for the binding, and that the CS-CH3 and C7-OCH3 groups are necessary for the high affinity.

  DOI：

  10.1016/s0040-4020(01)80621-9

文献信息

• Synthesis and binding of simple neocarzinostatin chromophore analogues to the apoprotein
  作者：Kazunobu Takahashi、Toshiyuki Tanaka、Toshio Suzuki、Masahiro Hirama

  DOI：10.1016/s0040-4020(01)80621-9

  日期：1994.1

  Synthetic analogues (3-5, 8-10) of neocarzinostatin chromophore (1) are found to bind to the apoprotein with high affinity. Their binding energies suggest that the naphthoate moiety of 1 is essential for the binding, and that the CS-CH3 and C7-OCH3 groups are necessary for the high affinity.