(10S,13S,16S,19S,22S,25R)-10-(4-((6-amino-2-(butylamino)-8-hydroxy-9H-purin-9-yl) methyl)phenylcarbamoyl)-13,16,19-tris(4-(tert-butoxycarbonylamino)butyl)-22-(tert-butoxymethyl)-2,2-dimethyl-4,12,15,18,21,24-hexaoxo-25-palmitamido-3-oxa-27-thia-5,11,14,17, 20,23-hexaazatriacontane-29,30-diyl dipalmitate | 1623013-25-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (10S,13S,16S,19S,22S,25R)-10-(4-((6-amino-2-(butylamino)-8-hydroxy-9H-purin-9-yl) methyl)phenylcarbamoyl)-13,16,19-tris(4-(tert-butoxycarbonylamino)butyl)-22-(tert-butoxymethyl)-2,2-dimethyl-4,12,15,18,21,24-hexaoxo-25-palmitamido-3-oxa-27-thia-5,11,14,17, 20,23-hexaazatriacontane-29,30-diyl dipalmitate
• 英文别名: [3-[(2R)-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]anilino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2-(hexadecanoylamino)-3-oxopropyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate
• CAS: 1623013-25-1
• 化学式: C₁₂₁H₂₁₅N₁₇O₂₁S
• 分子量: 2276.21
• InChiKey: AKHFWJLBXUMVIS-IFKKUBLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.9
• 重原子数：
  160
• 可旋转键数：
  101
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  540
• 氢给体数：
  14
• 氢受体数：
  26