(2r,3r,4s)-3-Amino-2-hydroxy-4-methylpalmitic acid | 138754-66-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2r,3r,4s)-3-Amino-2-hydroxy-4-methylpalmitic acid
• 英文别名: (2R,3R,4S)-3-amino-2-hydroxy-4-methylhexadecanoic acid
• CAS: 138754-66-2
• 化学式: C₁₇H₃₅NO₃
• 分子量: 301.47
• InChiKey: NGVXHXUOTPPGMQ-ARFHVFGLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  83.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2r,3r,4s)-3-Amino-2-hydroxy-4-methylpalmitic acid 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 (2R,3R,4S)-Methyl 3-acetamido-2-acetoxy-4-methylpalmitate
  参考文献：
  名称：

  Structures of puwainaphycins A–E

  摘要：

  Puwainaphycins A-E, one of which (C) is a potent cardioactive agent in isolated mouse atria, are cyclic decapeptides that have been isolated from a terrestrial blue-green alga Anabaena sp. BQ- 16-1. The structures of puwainaphycins A-E, including most of the stereochemical features, have been elucidated by a combination of spectral and chemical methods.

  DOI：

  10.1016/s0040-4020(01)92264-1
• 作为产物：
  描述：

  Puwainaphycin E 在 盐酸 作用下， 反应 24.0h， 生成 L-缬氨酸 、 L-谷氨酰胺 、 (2r,3r,4s)-3-Amino-2-hydroxy-4-methylpalmitic acid 、 L-脯氨酸
  参考文献：
  名称：

  Structures of puwainaphycins A–E

  摘要：

  Puwainaphycins A-E, one of which (C) is a potent cardioactive agent in isolated mouse atria, are cyclic decapeptides that have been isolated from a terrestrial blue-green alga Anabaena sp. BQ- 16-1. The structures of puwainaphycins A-E, including most of the stereochemical features, have been elucidated by a combination of spectral and chemical methods.

  DOI：

  10.1016/s0040-4020(01)92264-1

文献信息

• Structures of puwainaphycins A–E
  作者：John M. Gregson、Jian-Lu Chen、Gregory M.L. Patterson、Richard E. Moore

  DOI：10.1016/s0040-4020(01)92264-1

  日期：1992.1

  Puwainaphycins A-E, one of which (C) is a potent cardioactive agent in isolated mouse atria, are cyclic decapeptides that have been isolated from a terrestrial blue-green alga Anabaena sp. BQ- 16-1. The structures of puwainaphycins A-E, including most of the stereochemical features, have been elucidated by a combination of spectral and chemical methods.