9-Hydroxy-16-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-2-((2S,3R,4S,5R)-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-hexadecanoic acid | 113900-80-4

• 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: 9-Hydroxy-16-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-2-((2S,3R,4S,5R)-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-hexadecanoic acid
• 英文别名: 9-hydroxy-16-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhexadecanoic acid
• CAS: 113900-80-4
• 化学式: C₂₇H₅₀O₁₃
• 分子量: 582.686
• InChiKey: XIZPQKRDPRNPKY-OZBBIECOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  40
• 可旋转键数：
  19
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  216
• 氢给体数：
  8
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  9-Hydroxy-16-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-2-((2S,3R,4S,5R)-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-hexadecanoic acid 生成 2,9,16-Tris-trimethylsilanyloxy-hexadecanoic acid methyl ester
  参考文献：
  名称：

  Furuya, Tsutomu; Ueoka, Takehito; Asada, Yoshihisa, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 1, p. 444 - 447

  摘要：

  DOI：
• 作为产物：
  描述：

  [(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-5-[9-hydroxy-16-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhexadecanoyl]oxy-6-methyloxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 、 碳酸氢钠 生成 9-Hydroxy-16-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-2-((2S,3R,4S,5R)-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-hexadecanoic acid
  参考文献：
  名称：

  ASADA, YOSHIHISA;UEOKA, TAKEHITO;FURUYA, TSUIOMU, CHEM. AND PHARM. BULL., 37,(1989) N, C. 2139-2146

  摘要：

  DOI：

文献信息

• Asada, Yoshihisa; Ueoka, Takehito; Furuya, Tsutomu, Chemical and pharmaceutical bulletin, 1989, vol. 37, # 8, p. 2139 - 2146
  作者：Asada, Yoshihisa、Ueoka, Takehito、Furuya, Tsutomu

  DOI：——

  日期：——
• ASADA, YOSHIHISA;UEOKA, TAKEHITO;FURUYA, TSUIOMU, CHEM. AND PHARM. BULL., 37,(1989) N, C. 2139-2146
  作者：ASADA, YOSHIHISA、UEOKA, TAKEHITO、FURUYA, TSUIOMU

  DOI：——

  日期：——
• FURUYA, TSUTOMU;UEOKA, TAKEHITO;ASADA, YOSHIHISA, CHEM. AND PHARM. BULL., 36,(1988) N 1, 444-447
  作者：FURUYA, TSUTOMU、UEOKA, TAKEHITO、ASADA, YOSHIHISA

  DOI：——

  日期：——
• Furuya, Tsutomu; Ueoka, Takehito; Asada, Yoshihisa, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 1, p. 444 - 447
  作者：Furuya, Tsutomu、Ueoka, Takehito、Asada, Yoshihisa

  DOI：——

  日期：——