S-(2-acetamidoethyl) (2S,3R)-3,13-dihydroxy-2-methyltetradecanethioate | 221192-76-3

• 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: S-(2-acetamidoethyl) (2S,3R)-3,13-dihydroxy-2-methyltetradecanethioate
• CAS: 221192-76-3
• 化学式: C₁₉H₃₇NO₄S
• 分子量: 375.573
• InChiKey: NEUAPWXINNQPJB-BSRYDQRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  S-(2-acetamidoethyl) (2S,3R)-3,13-dihydroxy-2-methyltetradecanethioate 生成 (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-14-(10-oxoundecyl)-oxacyclotetradecane-2,10-dione
  参考文献：
  名称：

  Precursor directed biosynthesis of novel 6-deoxyerythronolide B analogs containing non-natural oxygen substituents and reactive functionalities

  摘要：

  Feeding of synthetic precursors to a blocked mutant of 6-deoxyerythronolide B synthase (DEBS) [1] led to production of novel 6-deoxyerythronolide B analogs in vivo containing additional non-natural oxygen substituents as well as additional reactive groups. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02507-6
• 作为产物：
  描述：

  在 叠氮磷酸二苯酯 、 氢氟酸 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成 S-(2-acetamidoethyl) (2S,3R)-3,13-dihydroxy-2-methyltetradecanethioate
  参考文献：
  名称：

  Precursor directed biosynthesis of novel 6-deoxyerythronolide B analogs containing non-natural oxygen substituents and reactive functionalities

  摘要：

  Feeding of synthetic precursors to a blocked mutant of 6-deoxyerythronolide B synthase (DEBS) [1] led to production of novel 6-deoxyerythronolide B analogs in vivo containing additional non-natural oxygen substituents as well as additional reactive groups. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02507-6