2-[(1R,2S,3R,4R)-4-hydroxy-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol | 115547-26-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[(1R,2S,3R,4R)-4-hydroxy-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol
• CAS: 115547-26-7
• 化学式: C₁₀H₂₀O₄
• 分子量: 204.266
• InChiKey: PEGODAROCVQABI-XCWAXFADSA-N

物化性质

• 沸点：
  415.5±15.0 °C(predicted)
• 密度：
  1.191±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.79
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  80.92
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-[(1R,2S,3R,4R)-4-hydroxy-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol 生成 Acetic acid (1S,2R,3R,5R)-3-acetoxy-5-(2-acetoxy-1-acetoxymethyl-ethyl)-2-methyl-cyclopentylmethyl ester
  参考文献：
  名称：

  Sambacosides a, e and f, novel tetrameric iridoid glucosides from jasminum sambac

  摘要：

  DOI：

  10.1016/s0040-4039(00)82045-6
• 作为产物：
  描述：

  methyl (4S,5E,6S)-5-ethylidene-4-[2-[[(1S,2R,3R,5R)-3-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-5-[(2S)-1-[2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetyl]oxy-3-hydroxypropan-2-yl]-2-methylcyclopentyl]methoxy]-2-oxoethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate 生成 2-[(1R,2S,3R,4R)-4-hydroxy-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol
  参考文献：
  名称：

  TANAHASHI, TAKAO;NAGAKURA, NAOTAKA;INOUE, KENICHIRO;INOUYE, HIROYUKI, TETRAHEDRON, 29,(1988) N 15, 1793-1796

  摘要：

  DOI：

文献信息

• Iridoidal glycosides from Jasminum sambac
  作者：Ying-Jun Zhang、Yu-Qing Liu、Xiang-Yu Pu、Chong-Ren Yang

  DOI：10.1016/0031-9422(94)e0200-c

  日期：1995.3

  Besides a known trimeric iridoidal glycoside, sambacoside A, five new oligomeric iridoidal glycosides, molihuasides A-E were isolated from the flowers of Jasminum sambac. Their structures were determined by spectral and chemical evidence. Among them, molihuasides A and C-E are new dimeric iridoidal glycosides and molihuaside B is a new trimeric iridoidal glycoside.
• TANAHASHI, TAKAO;NAGAKURA, NAOTAKA;KUWAJIMA, HIROSHI;TAKAISHI, KIYOKAZU;I+, PHYTOCHEMISTRY, 28,(1989) N, C. 1413-1415
  作者：TANAHASHI, TAKAO、NAGAKURA, NAOTAKA、KUWAJIMA, HIROSHI、TAKAISHI, KIYOKAZU、I+

  DOI：——

  日期：——