(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-hydroxypropane-1,2,3-tricarboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-hydroxypropane-1,2,3-tricarboxylic acid
• 化学式: C18H30O18
• 分子量: 534.4
• InChiKey: CMCADMRAVWHFCE-MILSHCHSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.64
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  322
• 氢给体数：
  12
• 氢受体数：
  18

文献信息

• [EN] ISOLATED BACTERIAL STRAIN OF THE GENUS BURKHOLDERIA AND PESTICIDAL METABOLITES THEREFROM<br/>[FR] SOUCHE BACTÉRIENNE ISOLÉE DU GENRE BURKHOLDERIA ET MÉTABOLITES PESTICIDES CORRESPONDANTS
  申请人：MARRONE BIO INNOVATIONS INC

  公开号：WO2014149241A1

  公开（公告）日：2014-09-25

  A species of Burkholderia sp with no known pathogenicity to vertebrates but with herbicidal activity is provided. Also provided are products derived from a culture of said species and methods of modulating weeds using said products.