[(1S)-1-[(2R,4S,6R)-4-(hydroxymethyl)-2-methoxy-6-methyloxan-2-yl]-2-methoxy-2-oxoethyl] benzoate | 205493-62-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(1S)-1-[(2R,4S,6R)-4-(hydroxymethyl)-2-methoxy-6-methyloxan-2-yl]-2-methoxy-2-oxoethyl] benzoate
• CAS: 205493-62-5
• 化学式: C₁₈H₂₄O₇
• 分子量: 352.384
• InChiKey: DNYPNIUGNYQZGK-ZFHGCVPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [(1S)-1-[(2R,4S,6R)-4-(hydroxymethyl)-2-methoxy-6-methyloxan-2-yl]-2-methoxy-2-oxoethyl] benzoate 在 三丁基膦 、 双氧水 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 Benzoic acid (S)-methoxycarbonyl-((2R,6R)-2-methoxy-6-methyl-4-methylene-tetrahydro-pyran-2-yl)-methyl ester
  参考文献：
  名称：

  Synthesis and biological activity of artificial analogs of mycalamide A

  摘要：

  Artificial analogs of mycalamide A, a potent antitumor and antiviral compound isolated from a New Zealand marine sponge, were synthesized and their biological activities were tested. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00365-x
• 作为产物：
  描述：

  Benzoic acid (S)-((2R,4S,6R)-4-[1,3]dithiolan-2-yl-2-methoxy-6-methyl-tetrahydro-pyran-2-yl)-methoxycarbonyl-methyl ester 在 zinc(II) tetrahydroborate 、 mercury dichloride 、 mercury(II) oxide 作用下， 以 乙醚 、 水 、 乙腈 为溶剂， 生成 [(1S)-1-[(2R,4S,6R)-4-(hydroxymethyl)-2-methoxy-6-methyloxan-2-yl]-2-methoxy-2-oxoethyl] benzoate
  参考文献：
  名称：

  Synthesis and biological activity of artificial analogs of mycalamide A

  摘要：

  Artificial analogs of mycalamide A, a potent antitumor and antiviral compound isolated from a New Zealand marine sponge, were synthesized and their biological activities were tested. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00365-x

文献信息

• Synthesis and biological activity of artificial analogs of mycalamide A
  作者：Hideto Fukui、Yoshinori Tsuchiya、Keiko Fujita、Tadakiyo Nakagawa、Hiroyuki Koshino、Tadashi Nakata

  DOI：10.1016/s0960-894x(97)00365-x

  日期：1997.8

  Artificial analogs of mycalamide A, a potent antitumor and antiviral compound isolated from a New Zealand marine sponge, were synthesized and their biological activities were tested. (C) 1997 Published by Elsevier Science Ltd.