[(2R,3R,4R,5R,6R)-6-[3-[(3aS,4S,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-oxopropyl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate | 223267-04-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(2R,3R,4R,5R,6R)-6-[3-[(3aS,4S,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-oxopropyl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
• CAS: 223267-04-7
• 化学式: C₂₅H₃₆O₁₄
• 分子量: 560.552
• InChiKey: AVSSGACVVQWHRC-YPYCETJPSA-N

物化性质

• 沸点：
  600.007±55.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.315±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  39
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  168
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  [(2R,3R,4R,5R,6R)-6-[3-[(3aS,4S,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-oxopropyl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate 在 zinc(II) tetrahydroborate 、 sodium methylate 、 sodium hydride 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Syntheses of two trimannose analogs each containing C-mannosyl or 5-thio-C-mannosyl residue: their affinities to concanavalin A

  摘要：

  C-Mannosyl residue-containing trimannose ManC alpha(1,6){Man alpha(1,3)Man} (2) and 5-thio-C-mannosyl residue-containing trimannose 5SManC alpha(1,6){Man alpha(1,3)Man} (3) were synthesized via a glycosyl radical addition to enone derivative of mannose (6). Dissociation constants for the binding of these trisaccharides to concanavalin A (ConA) were determined by a fluorescence anisotropy inhibition assay: K-d = 198 and 31 mu M, respectively. The unexpectedly large K-d value for the compound 2 compared with the compound 3 and the natural trimannose 1 demonstrates a characteristic of C-glycoside. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00087-6
• 作为产物：
  描述：

  1-((3aS,4R,6S,6aS)-6-Methoxy-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-prop-2-en-1-ol 在 n-butyl tin hydride 、 偶氮二异丁腈 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 [(2R,3R,4R,5R,6R)-6-[3-[(3aS,4S,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-oxopropyl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
  参考文献：
  名称：

  Syntheses of two trimannose analogs each containing C-mannosyl or 5-thio-C-mannosyl residue: their affinities to concanavalin A

  摘要：

  C-Mannosyl residue-containing trimannose ManC alpha(1,6){Man alpha(1,3)Man} (2) and 5-thio-C-mannosyl residue-containing trimannose 5SManC alpha(1,6){Man alpha(1,3)Man} (3) were synthesized via a glycosyl radical addition to enone derivative of mannose (6). Dissociation constants for the binding of these trisaccharides to concanavalin A (ConA) were determined by a fluorescence anisotropy inhibition assay: K-d = 198 and 31 mu M, respectively. The unexpectedly large K-d value for the compound 2 compared with the compound 3 and the natural trimannose 1 demonstrates a characteristic of C-glycoside. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00087-6