9-[(2R,3R,4R,5S,6R)-4-Hydroxy-3-(2-hydroxy-acetylamino)-6-hydroxymethyl-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-nonanoic acid methyl ester | 177610-18-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 9-[(2R,3R,4R,5S,6R)-4-Hydroxy-3-(2-hydroxy-acetylamino)-6-hydroxymethyl-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-nonanoic acid methyl ester
• CAS: 177610-18-3
• 化学式: C₂₄H₄₃NO₁₄
• 分子量: 569.604
• InChiKey: VYQHOEDIXWBABA-PQDNCWNSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.35
• 重原子数：
  39.0
• 可旋转键数：
  16.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  233.93
• 氢给体数：
  8.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  9-[(2R,3R,4R,5S,6R)-4-Hydroxy-3-(2-hydroxy-acetylamino)-6-hydroxymethyl-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-nonanoic acid methyl ester 在 α(2-3)sialyltransferase 、 fucosyltransferase VI 作用下， 生成
  参考文献：
  名称：

  Ernst, Beat; Dragic, Zorica; Marti, Sébastien, Chimia, 2001, vol. 55, # 4, p. 268 - 274

  摘要：

  DOI：
• 作为产物：
  描述：

  尿苷 5’-二二氧磷基半乳糖二钠盐 、 9-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-3-(2-hydroxy-acetylamino)-6-hydroxymethyl-tetrahydro-pyran-2-yloxy]-nonanoic acid methyl ester 在 β(1-4)galactosyltransferase 作用下， 生成 9-[(2R,3R,4R,5S,6R)-4-Hydroxy-3-(2-hydroxy-acetylamino)-6-hydroxymethyl-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-nonanoic acid methyl ester
  参考文献：
  名称：

  Ernst, Beat; Dragic, Zorica; Marti, Sébastien, Chimia, 2001, vol. 55, # 4, p. 268 - 274

  摘要：

  DOI：

文献信息

• Enzymatic α(2–3)-sialylation of non-natural disaccharides with cloned sialyl-transferase
  作者：Gabi Baisch、Reinhold Öhrlein、Markus Streiff、Beat Ernst

  DOI：10.1016/0960-894x(96)00118-7

  日期：1996.4

  Cloned alpha(2-3)sialyltransferase from rat liver is used to sialylate lactosamine derivatives, The enzyme accepts a broad range of N-acetyl substituants. The residues encompass small and bulky aliphatic replacements as well as charged and sulfonamide groups. Copyright (C) 1996 Elsevier Science Ltd
• Enzymatic galactosylation of non-natural glucosamide-acceptors
  作者：Gabi Baisch、Reinhold Öhrlein、Beat Ernst

  DOI：10.1016/0960-894x(96)00117-5

  日期：1996.4

  Commercial galactosyltransferase is used to galactosylate non-natural glucosamine derivatives, The enzyme tolerates various replacements of the natural N-acetyl group including charged and sulfonamide residues. Copyright (C) 1996 Elsevier Science Ltd