Imetelstat Sodium | 1007380-31-5

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: Imetelstat Sodium
• 英文别名: tridecasodium;N-[3-[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-amino-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]amino]-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]amino]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]amino]-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]amino]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]amino]-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]amino]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]amino]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]amino]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]amino]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]amino]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]amino]-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]amino]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-2-hydroxypropyl]hexadecanamide
• CAS: 1007380-31-5
• 化学式: C148H198N68Na13O53P13S13
• 分子量: 4896.0
• InChiKey: IEVORMRANFJJFR-NMZIRJKDSA-A

计算性质

• 辛醇/水分配系数(LogP)：
  -49.22
• 重原子数：
  308
• 可旋转键数：
  95
• 环数：
  35.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  2080
• 氢给体数：
  32
• 氢受体数：
  107