Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, (9(5S,6R))-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (1:1) (salt) | 97862-04-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, (9(5S,6R))-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (1:1) (salt)
• 英文别名: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
• CAS: 97862-04-9
• 化学式: C66H90N2O20
• 分子量: 1231.4
• InChiKey: BJKLPSFSLQTCGC-MKVIXIQMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.72
• 重原子数：
  88
• 可旋转键数：
  15
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  310
• 氢给体数：
  8
• 氢受体数：
  22