(2S,3R)-3,13-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methyl-tetradecanethioic acid S-(2-acetylamino-ethyl) ester | 221192-75-2

• 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: (2S,3R)-3,13-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methyl-tetradecanethioic acid S-(2-acetylamino-ethyl) ester
• CAS: 221192-75-2
• 化学式: C₃₁H₆₅NO₄SSi₂
• 分子量: 604.098
• InChiKey: BVOOPGICXINEGO-ZLEDJERYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.33
• 重原子数：
  39.0
• 可旋转键数：
  19.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  64.63
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (2S,3R)-3,13-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methyl-tetradecanethioic acid S-(2-acetylamino-ethyl) ester 在 氢氟酸 作用下， 以 乙腈 为溶剂， 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：

  10-十一碳烯基氯酸 在 lithium hydroxide 、 sodium tetrahydroborate 、 三氟甲磺酸二丁硼 、 叠氮磷酸二苯酯 、 mercury(II) diacetate 、 双氧水 、 silver benzoate 、 二异丁基氢化铝 、 三乙胺 、 N,N-二异丙基乙胺 、 sodium sulfite 作用下， 以 二氯甲烷 为溶剂， 生成 (2S,3R)-3,13-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methyl-tetradecanethioic acid S-(2-acetylamino-ethyl) ester
  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