N-[[(2S,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-[11,14,22,26-tetrachloro-18-[3-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]propanamide

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 2 '，5'-二脱氧核苷
• 英文名称: N-[[(2S,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-[11,14,22,26-tetrachloro-18-[3-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]propanamide
• 化学式: C₅₀H₄₀Cl₄N₈O₁₄
• 分子量: 1118.7
• InChiKey: GCGFDSAHFDEFFX-WCYWTNDQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  76
• 可旋转键数：
  12
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  291
• 氢给体数：
  6
• 氢受体数：
  14

文献信息

• SOLUBLE METAL SENSOR COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME
  申请人：PRESTWICH Glenn D.

  公开号：US20150204836A1

  公开（公告）日：2015-07-23

  Described herein are the preparation and use of metal sensor compounds in detecting metals that are toxic to humans or to the environment. In one aspect, the metal sensor compounds comprise a polycyclic aryl group (PAC), wherein at least one solubilizing group and at least one metal binding ligand are covalently bonded to (PAC).

  本文描述了制备和使用金属传感器化合物来检测对人类或环境有毒的金属。在一方面，金属传感器化合物包括多环芳基基团（PAC），其中至少有一个增溶基团和至少一个金属配位配体与（PAC）共价键合。
• [EN] SOLUBLE METAL SENSOR COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME<br/>[FR] COMPOSÉS DÉTECTEURS DE MÉTAUX SOLUBLES, LEURS PROCÉDÉS DE PRÉPARATION ET D'UTILISATION
  申请人：UNIV UTAH RES FOUND

  公开号：WO2014036361A2

  公开（公告）日：2014-03-06

  Described herein are the preparation and use of metal sensor compounds in detecting metals that are toxic to humans or to the environment. In one aspect, the metal sensor compounds comprise a polycyclic aryl group (PAC), wherein at least one solubilizing group and at least one metal binding ligand are covalently bonded to (PAC).