2-[7-(1-Carboxy-4-hydroxypentan-3-yl)-4-[(5-oxothiochromeno[2,3-b]pyridin-2-yl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]pentanedioic acid

• 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: 2-[7-(1-Carboxy-4-hydroxypentan-3-yl)-4-[(5-oxothiochromeno[2,3-b]pyridin-2-yl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]pentanedioic acid
• 英文别名: 2-[7-(1-carboxy-4-hydroxypentan-3-yl)-4-[(5-oxothiochromeno[2,3-b]pyridin-2-yl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]pentanedioic acid
• 化学式: C₃₂H₄₃N₅O₈S
• 分子量: 657.8
• InChiKey: OIBAVHNCVFSNMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.6
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  209
• 氢给体数：
  5
• 氢受体数：
  14

文献信息

• RESPONSIVE LUMINESCENT LATHANIDE COMPLEXES
  申请人：University of Durham

  公开号：US20140179015A1

  公开（公告）日：2014-06-26

  The invention provides a compound of formula (I): (wherein: R 1 is an optionally substituted 2-(1-azathiaxanthone); each —R 2 is independently of the formula —CH 2 —C(═O)—R 4 , wherein R 4 is an amino acid or a salt thereof, attached to the remainder of R 2 through the nitrogen atom of the amino group; and R 3 is hydrogen or a C 1-6 alkyl group); or (wherein: R 1 is an optionally substituted 2-(1-azaxanthone); each R 2 is independently an optionally substituted glutaric or succinic acid, or a salt or ester thereof; and R 3 is hydrogen or a C 1-6 alkyl group).
• US9448225B2
  申请人：——

  公开号：US9448225B2

  公开（公告）日：2016-09-20