β-D-glucopyranosylerythrose | 99174-81-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: β-D-glucopyranosylerythrose
• 英文别名: D-erythro-2-β-D-glucopyranosyloxy-3,4-dihydroxy-butyraldehyde；D-erythro-2-β-D-Glucopyranosyloxy-3,4-dihydroxy-butyraldehyd；Erythrose, 2-O-|A-D-glucopyranosyl-；(2R,3R)-3,4-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanal
• CAS: 99174-81-9
• 化学式: C₁₀H₁₈O₉
• 分子量: 282.248
• InChiKey: RBCGCCLPRSZZCE-RDJCPNPNSA-N

物化性质

• 沸点：
  665.5±55.0 °C(Predicted)
• 密度：
  1.61±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.8
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  157
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 iron(III) sulfate 、 双氧水 、 barium(II) acetate 作用下， 生成 β-D-glucopyranosylerythrose
  参考文献：
  名称：

  Gachokidse, Zhurnal Obshchei Khimii, 1950, vol. 20, p. 289,290; engl. Ausg. S. 309, 310

  摘要：

  DOI：

文献信息

• Fast Pyrolysis of ¹³C-Labeled Cellobioses: Gaining Insights into the Mechanisms of Fast Pyrolysis of Carbohydrates
  作者：John C. Degenstein、Priya Murria、Mckay Easton、Huaming Sheng、Matt Hurt、Alex R. Dow、Jinshan Gao、John J. Nash、Rakesh Agrawal、W. Nicholas Delgass、Fabio H. Ribeiro、Hilkka I. Kenttämaa

  DOI：10.1021/jo5025255

  日期：2015.2.6

  A fast-pyrolysis probe/tandem mass spectrometer combination was utilized to determine the initial fast-pyrolysis products for four different selectively C-13-labeled cellobiose molecules. Several products are shown to result entirely from fragmentation of the reducing end of cellobiose, leaving the nonreducing end intact in these products. These findings are in disagreement with mechanisms proposed previously. Quantum chemical calculations were used to identify feasible low-energy pathways for several products. These results provide insights into the mechanisms of fast pyrolysis of cellulose.