[(3R,6S)-3,4,5-tribenzoyloxy-6-[2-[2-[2-[3-[2-[3-[2-[2-[2-[(1S,2R)-2,3-dibenzoyloxy-1-[(3S)-1,3-dibenzoyloxybutan-2-yl]oxypropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl benzoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(3R,6S)-3,4,5-tribenzoyloxy-6-[2-[2-[2-[3-[2-[3-[2-[2-[2-[(1S,2R)-2,3-dibenzoyloxy-1-[(3S)-1,3-dibenzoyloxybutan-2-yl]oxypropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl benzoate
• 化学式: C₈₉H₉₆N₂O₂₈
• 分子量: 1641.7
• InChiKey: WLHJBUVAHBPNGA-WGEVDHTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  119
• 可旋转键数：
  60
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  361
• 氢给体数：
  2
• 氢受体数：
  28

文献信息

• CARBOHYDRATE CONJUGATES AS DELIVERY AGENTS FOR OLIGONUCLEOTIDES
  申请人：Alnylam Pharmaceuticals, Inc.

  公开号：US20130178512A1

  公开（公告）日：2013-07-11

  The present invention provides iRNA agents comprising at least one subunit of the formula (I): wherein: A and B are each independently for each occurrence O, N(R N ) or S; X and Y are each independently for each occurrence H, OH, a hydroxyl protecting group, a phosphate group, a phosphodiester group, an activated phosphate group, an activated phosphite group, a phosphoramidite, a solid support, —P(Z′)(Z″)O-nucleoside, —P(Z′)(Z″)O-oligonucleotide, a lipid, a PEG, a steroid, a lipophile, a polymer, —P(Z′)(Z″)O-Linker-OP(Z′″)(Z″″)O-oligonucleotide, a nucleotide, an oligonucleotide, —P(Z′)(Z″)-formula (I), —P(Z′)(Z″)— or -Linker-R; R is L G , -Linker-L G , or has the structure shown below: L G is independently for each occurrence a carbohydrate, e.g., monosaccharide, disaccharide, trisaccharide, tetrasaccharide, oligosaccharide, polysaccharide; R N is independently for each occurrence H, methyl, ethyl, propyl, isopropyl, butyl, or benzyl; and Z′, Z″, Z′″ and Z″″ are each independently for each occurrence O or S.
• US8828956B2
  申请人：——

  公开号：US8828956B2

  公开（公告）日：2014-09-09