(2S,3R)-3-Hydroxy-2-methyl-pent-4-enethioic acid S-(2-acetylamino-ethyl) ester | 220081-70-9

• 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-Hydroxy-2-methyl-pent-4-enethioic acid S-(2-acetylamino-ethyl) ester
• 英文别名: S-(2-acetamidoethyl) (2S,3R)-3-hydroxy-2-methylpent-4-enethioate
• CAS: 220081-70-9
• 化学式: C₁₀H₁₇NO₃S
• 分子量: 231.316
• InChiKey: HMJUXYMMCJHFBZ-IONNQARKSA-N

物化性质

• 沸点：
  426.0±45.0 °C(Predicted)
• 密度：
  1.133±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2S,3R)-3-Hydroxy-2-methyl-pent-4-enethioic acid S-(2-acetylamino-ethyl) ester 生成 (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-4,6,12-Trihydroxy-3,5,7,9,11,13-hexamethyl-14-vinyl-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：

  <4S,3(2S,3R)>-4-benzyl-3-(3-hydroxy-2-methyl-4-pentenoyl)-2-oxazolidinone 在 lithium hydroxide 、 叠氮磷酸二苯酯 、 氢氟酸 、 双氧水 、 三乙胺 、 N,N-二异丙基乙胺 、 sodium sulfite 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 (2S,3R)-3-Hydroxy-2-methyl-pent-4-enethioic 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