Gal2Ac3Ac4Ac6Ac(b1-4)GlcNAc3Ac6Ac(b1-6)[Bn(-2)][Bn(-3)][Bn(-4)]Man(a1-6)[Bn(-2)][Bn(-3)][Bn(-4)]b-Man1Me | 1417352-98-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Gal2Ac3Ac4Ac6Ac(b1-4)GlcNAc3Ac6Ac(b1-6)[Bn(-2)][Bn(-3)][Bn(-4)]Man(a1-6)[Bn(-2)][Bn(-3)][Bn(-4)]b-Man1Me
• 英文别名: [(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-6-[[(2R,3R,4S,5S,6S)-6-[[(2R,3R,4S,5S,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
• CAS: 1417352-98-7
• 化学式: C₈₁H₉₅NO₂₇
• 分子量: 1514.64
• InChiKey: RLDNSABYHHPCJX-SCKKHEAFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  109
• 可旋转键数：
  42
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  316
• 氢给体数：
  1
• 氢受体数：
  27

反应信息

• 作为反应物：
  描述：

  Gal2Ac3Ac4Ac6Ac(b1-4)GlcNAc3Ac6Ac(b1-6)[Bn(-2)][Bn(-3)][Bn(-4)]Man(a1-6)[Bn(-2)][Bn(-3)][Bn(-4)]b-Man1Me 在 10 wt% Pd(OH)2 on carbon 、 氢气 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of an antimetastatic tetrasaccharide β-d-Gal-(1→4)-β-d-GlcpNAc-(1→6)-α-d-Manp-(1→6)-β-d-Manp-OMe

  摘要：

  An antimetastatic tetrasaccharide T-1, beta-D-Gal-(1 -> 4)-beta-D-GlcpNAc-(1 -> 6)-alpha-D-Manp-(1 -> 6)-beta-D-Manp-OMe, was synthesized with two approaches. The first approach was a conventional method employing thioglycoside and Koenigs-Knorr glycosylation reaction in 24% overall yield. The second one was a novel route through the azidoiodo-glycosylation strategy by using 2-iodo-2-deoxylactosyl azide as the donor in 36% overall yield. (C) 2012 Zhong Jun Li. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.10.022
• 作为产物：
  描述：

  、 乙酸酐 在 吡啶 作用下， 生成 Gal2Ac3Ac4Ac6Ac(b1-4)GlcNAc3Ac6Ac(b1-6)[Bn(-2)][Bn(-3)][Bn(-4)]Man(a1-6)[Bn(-2)][Bn(-3)][Bn(-4)]b-Man1Me
  参考文献：
  名称：

  Synthesis of an antimetastatic tetrasaccharide β-d-Gal-(1→4)-β-d-GlcpNAc-(1→6)-α-d-Manp-(1→6)-β-d-Manp-OMe

  摘要：

  An antimetastatic tetrasaccharide T-1, beta-D-Gal-(1 -> 4)-beta-D-GlcpNAc-(1 -> 6)-alpha-D-Manp-(1 -> 6)-beta-D-Manp-OMe, was synthesized with two approaches. The first approach was a conventional method employing thioglycoside and Koenigs-Knorr glycosylation reaction in 24% overall yield. The second one was a novel route through the azidoiodo-glycosylation strategy by using 2-iodo-2-deoxylactosyl azide as the donor in 36% overall yield. (C) 2012 Zhong Jun Li. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.10.022