Galα1-3Galβ1-4GlcNTeocβ-SEt

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Galα1-3Galβ1-4GlcNTeocβ-SEt
• 英文别名: Gal(a1-3)Gal(b1-4)[TrocNH(-2d)]Glc(b)-SEt；2,2,2-trichloroethyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-ethylsulfanyl-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
• 化学式: C₂₃H₃₈Cl₃NO₁₆S
• 分子量: 722.977
• InChiKey: ULDKRFGYLOOQKY-PWFNVUHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  44
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  292
• 氢给体数：
  10
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  Lactose 在 β-D-galactosidase 、 α-D-galactosidase 、 sodium acetate 、 sodium phosphate 作用下， 以 水 为溶剂， 反应 132.0h， 生成 Galα1-3Galβ1-4GlcNTeocβ-SEt
  参考文献：
  名称：

  Glycosidase-catalysed synthesis of di- and trisaccharide derivatives related to antigens involved in the hyperacure rejection of xenotransplants

  摘要：

  A convenient enzymatic procedure, suitable for large scale preparation of the beta-thioethyl 2-N-Teoc-derivative of Ga1 alpha 1-3Gal beta 1-4GlcNAc, GalS1-4GlcNAc, is described (Teoc = 2,2,2-trichloroethoxycarbonyl). beta-D-Galactosidase from Bullera singularis was used for the specific synthesis of Gal beta 1-4GlcNTeoc beta-SEt from lactose and D-GlcNTeoc beta-SEt. alpha-D-Galactosidase from coffee beans was used for the stereo- specific and highly regioselective preparation of Gal alpha 1-3Gal beta 1-4GlcNTeoc beta-SEt, employing D-Gal alpha-OPhNO(2)-p as glycosyl donor and Gal beta 1-4GlcNTeoc beta-SEt as acceptor. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02235-6

文献信息

• Glycosidase-catalysed synthesis of di- and trisaccharide derivatives related to antigens involved in the hyperacure rejection of xenotransplants
  作者：Kurt G.I. Nilsson

  DOI：10.1016/s0040-4039(96)02235-6

  日期：1997.1

  A convenient enzymatic procedure, suitable for large scale preparation of the beta-thioethyl 2-N-Teoc-derivative of Ga1 alpha 1-3Gal beta 1-4GlcNAc, GalS1-4GlcNAc, is described (Teoc = 2,2,2-trichloroethoxycarbonyl). beta-D-Galactosidase from Bullera singularis was used for the specific synthesis of Gal beta 1-4GlcNTeoc beta-SEt from lactose and D-GlcNTeoc beta-SEt. alpha-D-Galactosidase from coffee beans was used for the stereo- specific and highly regioselective preparation of Gal alpha 1-3Gal beta 1-4GlcNTeoc beta-SEt, employing D-Gal alpha-OPhNO(2)-p as glycosyl donor and Gal beta 1-4GlcNTeoc beta-SEt as acceptor. Copyright (C) 1996 Elsevier Science Ltd