2-[[(3aR,6R,6aR)-6-hydroxy-2,2-dimethyl-6-[2-(4-pentoxyphenyl)ethynyl]-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl]-4-methylbenzenesulfonic acid;[(3aR,6R,6aR)-6-hydroxy-6-[2-(4-methoxyphenyl)ethynyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzenesulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[[(3aR,6R,6aR)-6-hydroxy-2,2-dimethyl-6-[2-(4-pentoxyphenyl)ethynyl]-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl]-4-methylbenzenesulfonic acid;[(3aR,6R,6aR)-6-hydroxy-6-[2-(4-methoxyphenyl)ethynyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzenesulfonate
• 化学式: C52H60O16S2
• 分子量: 1005.2
• InChiKey: HOSKZWOVMCQXQY-UBTDVBPMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.38
• 重原子数：
  70
• 可旋转键数：
  17
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  229
• 氢给体数：
  3
• 氢受体数：
  16

文献信息

• [EN] SUBSTITUTED SUGAR DERIVED 1, 2, 3-TRIAZOLE COMPOUNDS AND THEIR DIMERS AND A PROCESS FOR THE PREPARATION THEREOF<br/>[FR] COMPOSÉS 1, 2, 3-TRIAZOLES DÉRIVÉS DE SUCRES SUBSTITUÉS ET LEURS DIMÈRES AINSI QU'UN PROCÉDÉ POUR LEUR PRÉPARATION
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2014132273A1

  公开（公告）日：2014-09-04

  The present invention discloses tricyclic five membered sugar derived 1,2,3-triazoles compounds of formula I and their dimers and a process for the preparation thereof. Particularly, the present invention relates to tricyclic five membered sugar derived 1,2,3-triazoles compounds of formula I which are useful for screening of various kinases and other related targets. [Insert formula I here] wherein R is selected from hydrogen, (un)substituted or substituted alkyl, (un)substituted or substituted aryl, (un)substituted or substituted cycloalkyls, (un)substituted or substituted heteroaryls.