Puwainaphycin A | 142998-30-9

• 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: Puwainaphycin A
• 英文别名: 3-[(3S,6S,12S,15S,18S,21E,24S,27R,28R,31S)-3-(2-amino-2-oxoethyl)-21-ethylidene-27-hydroxy-15,18-bis[(1S)-1-hydroxyethyl]-6-(1-methoxyethyl)-4-methyl-2,5,8,11,14,17,20,23,26,30-decaoxo-28-[(2S)-12-oxohexadecan-2-yl]-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-12-yl]propanamide
• CAS: 142998-30-9
• 化学式: C₅₈H₉₈N₁₂O₁₇
• 分子量: 1235.49
• InChiKey: VBYYGSMHUKZIND-MKZFFVBUSA-N

物化性质

• 沸点：
  1558.0±65.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  87
• 可旋转键数：
  24
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  447
• 氢给体数：
  13
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  Puwainaphycin A 在 盐酸 、 sodium hydroxide 作用下， 反应 25.0h， 生成
  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.