(2R,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6S)-6-((5-((2-aminoethyl)thio)pentyl)thio)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-((naphthalen-2-ylmethoxy)methyl)tetrahydro-2H-pyran-3,4,5-triol hydrochloride | 1225440-65-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6S)-6-((5-((2-aminoethyl)thio)pentyl)thio)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-((naphthalen-2-ylmethoxy)methyl)tetrahydro-2H-pyran-3,4,5-triol hydrochloride
• CAS: 1225440-65-2
• 化学式: C₃₀H₄₅NO₁₀S₂*ClH
• 分子量: 680.281
• InChiKey: IFZHWMAYCRHSCQ-JYPAQVLUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  44.0
• 可旋转键数：
  16.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  184.32
• 氢给体数：
  7.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  (2R,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6S)-6-((5-((2-aminoethyl)thio)pentyl)thio)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-((naphthalen-2-ylmethoxy)methyl)tetrahydro-2H-pyran-3,4,5-triol hydrochloride 、 丹酰氯 在 三乙胺 作用下， 以 甲醇 为溶剂， 以100%的产率得到5-((2-(dansylamino)ethyl)thio)pent-1-yl 4-O-(6-O-((2-naphthyl)methyl)-α-D-glucopyranosyl)-1-thio-β-D-glucopyranoside
  参考文献：
  名称：

  Simple and conveniently accessible bi-fluorescence-labeled substrates for amylases

  摘要：

  Synthesis of bi-fluorescence-labeled maltooligosaccharides for amylase assay was accomplished. Preliminary biological evaluation of both bi-fluorescence-labeled maltohexasaccharide and maltose using alpha-amylase was carried out, and the hexaosyl derivative showed unique variation on the basis of fluorescence resonance energy transfer (FRET). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.117
• 作为产物：
  描述：

  pent-4-en-1-yl 4-O-(6-O-((2-naphthyl)methyl)-α-D-glucopyranosyl)-1-thio-β-D-glucopyranoside 、 半胱胺盐酸盐 在 水 作用下， 以 甲醇 为溶剂， 生成 (2R,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6S)-6-((5-((2-aminoethyl)thio)pentyl)thio)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-((naphthalen-2-ylmethoxy)methyl)tetrahydro-2H-pyran-3,4,5-triol hydrochloride
  参考文献：
  名称：

  Simple and conveniently accessible bi-fluorescence-labeled substrates for amylases

  摘要：

  Synthesis of bi-fluorescence-labeled maltooligosaccharides for amylase assay was accomplished. Preliminary biological evaluation of both bi-fluorescence-labeled maltohexasaccharide and maltose using alpha-amylase was carried out, and the hexaosyl derivative showed unique variation on the basis of fluorescence resonance energy transfer (FRET). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.117