Adenosine, thymidylyl-(3a(2)a5a(2))-2a(2)-deoxycytidylyl-(3a(2)a5a(2))-2a(2)-deoxycytidylyl-(3a(2)a5a(2))-2a(2)-deoxycytidylyl-(3a(2)a5a(2))-2a(2)-deoxyguanylyl-(3a(2)a5a(2))-2a(2)-deoxyguanylyl-(3a(2)a5a(2))-2a(2)-deoxyguanylyl-(3a(2)a5a(2))-2a(2)-deoxy- | 94042-81-6

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 核苷和核苷酸类似物
• 英文名称: Adenosine, thymidylyl-(3a(2)a5a(2))-2a(2)-deoxycytidylyl-(3a(2)a5a(2))-2a(2)-deoxycytidylyl-(3a(2)a5a(2))-2a(2)-deoxycytidylyl-(3a(2)a5a(2))-2a(2)-deoxyguanylyl-(3a(2)a5a(2))-2a(2)-deoxyguanylyl-(3a(2)a5a(2))-2a(2)-deoxyguanylyl-(3a(2)a5a(2))-2a(2)-deoxy-
• 英文别名: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
• CAS: 94042-81-6
• 化学式: C₇₇H₉₈N₃₁O₄₆P₇
• 分子量: 2410.6
• InChiKey: TVYQBYJHITYFLF-PFOMJVSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.5
• 重原子数：
  161
• 可旋转键数：
  44
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  1070
• 氢给体数：
  26
• 氢受体数：
  59