(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-[(E)-C-(hydroxymethyl)-N-[[[4-[(2-hydroxypropylamino)methyl]-2,2,4-trimethylhexanoyl]-phosphanylidene-lambda4-sulfanyl]amino]carbonimidoyl]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: (7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-[(E)-C-(hydroxymethyl)-N-[[[4-[(2-hydroxypropylamino)methyl]-2,2,4-trimethylhexanoyl]-phosphanylidene-lambda4-sulfanyl]amino]carbonimidoyl]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
• 英文别名: (7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-[(E)-C-(hydroxymethyl)-N-[[[4-[(2-hydroxypropylamino)methyl]-2,2,4-trimethylhexanoyl]-phosphanylidene-λ4-sulfanyl]amino]carbonimidoyl]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
• 化学式: C₄₀H₅₇N₄O₁₂PS
• 分子量: 848.9
• InChiKey: UXOLBBGPAMTDRI-YKORCOOUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  58
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  282
• 氢给体数：
  9
• 氢受体数：
  17