Adenosine, N-[(2E)-4-[(O-I(2)-D-galactopyranosyl-(1a2)-O-I+/--D-galactopyranosyl-(1a3)-O-I+/--L-arabinofuranosyl-(1a3)-O-[I+/--L-arabinofuranosyl-(1a4)]-I(2)-D-galactopyranosyl)oxy]-3-methyl-2-butenyl]- | 171628-14-1

• 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: Adenosine, N-[(2E)-4-[(O-I(2)-D-galactopyranosyl-(1a2)-O-I+/--D-galactopyranosyl-(1a3)-O-I+/--L-arabinofuranosyl-(1a3)-O-[I+/--L-arabinofuranosyl-(1a4)]-I(2)-D-galactopyranosyl)oxy]-3-methyl-2-butenyl]-
• 英文别名: (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[(E)-4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-2-methylbut-2-enoxy]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 171628-14-1
• 化学式: C₄₃H₆₇N₅O₂₈
• 分子量: 1102.0
• InChiKey: LHDGISWXLILHQA-ZMSKMCPLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8
• 重原子数：
  76
• 可旋转键数：
  21
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  501
• 氢给体数：
  18
• 氢受体数：
  32