(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5-[[4-[[5-[[1-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecahydroxy-10,15,20,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methyl]triazol-4-yl]methoxy]naphthalen-1-yl]oxymethyl]triazol-1-yl]methyl]-10,15,20,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol | 1439934-76-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5-[[4-[[5-[[1-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecahydroxy-10,15,20,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methyl]triazol-4-yl]methoxy]naphthalen-1-yl]oxymethyl]triazol-1-yl]methyl]-10,15,20,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
• CAS: 1439934-76-5
• 化学式: C₈₈H₁₃₀N₆O₆₀
• 分子量: 2232.0
• InChiKey: VGTOIZLPATUOEV-SRGXJJIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -23.3
• 重原子数：
  154
• 可旋转键数：
  20
• 环数：
  48.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  989
• 氢给体数：
  34
• 氢受体数：
  64

反应信息

• 作为产物：
  描述：

  1,5-propargyloxynaphthalene 、 6^A-azido-6^A-deoxy-α-cyclodextrin 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以50%的产率得到(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5-[[4-[[5-[[1-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecahydroxy-10,15,20,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methyl]triazol-4-yl]methoxy]naphthalen-1-yl]oxymethyl]triazol-1-yl]methyl]-10,15,20,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
  参考文献：
  名称：

  四种有机分子自分选为杂多轮烷类化合物

  摘要：

  社交自分类超分子组装是通过四个有机成分之间的非共价相互作用来描述的。为了实现这一目标，已经通过混合两种或三种不同的化合物研究了一系列自选系统。萘桥双（α-环糊精），N，N'-二辛基-4,4'-联吡啶，2,6-二羟基萘和葫芦[8] uril。还研究了紫精衍生物的烷基链的影响以及这些系统的结合能力。他们的综合自我筛选导致紫色超分子杂轮聚伪轮烷的独家形成。杂轮聚伪轮烷是一种热力学稳定的自选产物，由两个具有三个不同非共价相互作用的不同大环组成。它的结构是由NMR光谱学和UV / Vis吸收光谱学，透射电子显微镜（TEM），原子力显微镜（AFM），动态光散射（DLS），扩散有序光谱（DOSY）和粘度测量确定的。

  DOI：

  10.1002/chem.201204583