[(2R,3S,4R,5R,6S)-2-[[(2R,3R,4R,5S,6R)-5-diphenoxyphosphoryloxy-4-[(3R)-3-phenylmethoxytetradecanoyl]oxy-3-(2,2,2-trichloroethoxycarbonylamino)-6-(2,2,2-trichloroethoxycarbonyloxymethyl)oxan-2-yl]oxymethyl]-3-hydroxy-5-[[(3R)-3-phenylmethoxytetradecanoyl]amino]-6-prop-2-enoxyoxan-4-yl] (3R)-3-phenylmethoxytetradecanoate | 117475-09-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2R,3S,4R,5R,6S)-2-[[(2R,3R,4R,5S,6R)-5-diphenoxyphosphoryloxy-4-[(3R)-3-phenylmethoxytetradecanoyl]oxy-3-(2,2,2-trichloroethoxycarbonylamino)-6-(2,2,2-trichloroethoxycarbonyloxymethyl)oxan-2-yl]oxymethyl]-3-hydroxy-5-[[(3R)-3-phenylmethoxytetradecanoyl]amino]-6-prop-2-enoxyoxan-4-yl] (3R)-3-phenylmethoxytetradecanoate
• CAS: 117475-09-9
• 化学式: C₉₆H₁₃₅Cl₆N₂O₂₂P
• 分子量: 1912.82
• InChiKey: XZNPTODFCXIQFI-PKSLZKPISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.5
• 重原子数：
  127
• 可旋转键数：
  70
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  285
• 氢给体数：
  3
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  (R)-3-Benzyloxy-tetradecanoic acid (2R,3R,4R,5S,6R)-2-bromo-5-(diphenoxy-phosphoryloxy)-3-(2,2,2-trichloro-ethoxycarbonylamino)-6-(2,2,2-trichloro-ethoxycarbonyloxymethyl)-tetrahydro-pyran-4-yl ester 、 [(2R,3S,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5-[[(3R)-3-phenylmethoxytetradecanoyl]amino]-6-prop-2-enoxyoxan-4-yl] (3R)-3-phenylmethoxytetradecanoate 生成 [(2R,3S,4R,5R,6S)-2-[[(2R,3R,4R,5S,6R)-5-diphenoxyphosphoryloxy-4-[(3R)-3-phenylmethoxytetradecanoyl]oxy-3-(2,2,2-trichloroethoxycarbonylamino)-6-(2,2,2-trichloroethoxycarbonyloxymethyl)oxan-2-yl]oxymethyl]-3-hydroxy-5-[[(3R)-3-phenylmethoxytetradecanoyl]amino]-6-prop-2-enoxyoxan-4-yl] (3R)-3-phenylmethoxytetradecanoate
  参考文献：
  名称：

  IMOTO, MASAHIRO;KUSUNOSE, NAOTO;KUSUMOTO, SHOICHI;SHIBA, TETSUO, TETRAHEDRON LETT., 29,(1988) N 18, 2227-2230

  摘要：

  DOI：

文献信息

• Synthetic approach to bacterial lipopolysaccharide, preparation of trisaccharide part structures containing KDO and 1-dephospho lipid A
  作者：Masahiro Imoto、Naoto Kusunose、Shoichi Kusumoto、Tetsuo Shiba

  DOI：10.1016/s0040-4039(00)86718-0

  日期：——