6-[(2R)-4-hydroxy-3,3-dimethyl-5-oxooxolan-2-yl]oxan-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 6-[(2R)-4-hydroxy-3,3-dimethyl-5-oxooxolan-2-yl]oxan-2-one
• 化学式: C₁₁H₁₆O₅
• 分子量: 228.24
• InChiKey: KJLNXAMSYDBWQW-DMBGQZSHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• THIOLACTONE ANTIBIOTICS
  申请人：Tonge Peter

  公开号：US20140113941A1

  公开（公告）日：2014-04-24

  This invention provides a compound having the structure wherein R 1 is H, wherein n and q are independently an integer from 0 to 8; A is absent or present and when present is wherein m is an integer from 0 to 8; R 3 is an amino, alkyl, aryl, heteroaryl, diol, piperazine, morpholine, piperidine, triazole, azide or biphenyl, each with or without substitution, branched or unbranched, or and R 4 is alkyl, aryl, or heteroaryl, each with or without substitution, branched or unbranched, R 2 is H, CH 3 , or alkyl, aryl, heteroaryl, pyrrole, diazole, or triazole, each with or without substitution, branched or unbranched, or wherein n and q are independently an integer from 0 to 8; A is absent or present and when present is and R 6 is azide, methoxy, trifluoromethyl, biphenyl, substituted phenyl, substituted triazole, or alkyl, aryl or heteroaryl, with or without substitution, branched or unbranched, when R 1 is H then R 2 is other than H or CH 3 , and when R 2 is H or CH 3 then R 1 is other than H, or a pharmaceutically acceptable salt thereof.
• US9056851B2
  申请人：——

  公开号：US9056851B2

  公开（公告）日：2015-06-16