4-[(2Z)-2-[(2Z)-2-[3-[(E)-2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]-2-pyrimidin-2-ylsulfanylcyclopent-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-[(2Z)-2-[(2Z)-2-[3-[(E)-2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]-2-pyrimidin-2-ylsulfanylcyclopent-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonic acid
• 化学式: C49H53N4O6S3+
• 分子量: 890.2
• InChiKey: KTSFHQFWTWZWHY-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  62
• 可旋转键数：
  15
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  183
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• Collection container assembly with nanocomposite barrier coating
  申请人：Soskey Paul R.

  公开号：US20090285722A1

  公开（公告）日：2009-11-19

  An evacuated container assembly suitable for use in connection with blood collection including: (a) a container member formed of a first polymeric material and having a sidewall and one or more openings; (b) a nanocomposite barrier coating disposed on the container member having a thickness of up to about 30 microns and being derived from an aqueous dispersion including (i) a dispersed barrier matrix polymer; and (ii) a substantially exfoliated silicate filler having an aspect ratio of more than 50; and (c) one or more sealing members disposed in the opening(s) operative to hermetically seal the cavity; wherein the cavity is evacuated and maintains a pressure below atmospheric pressure and exhibits a draw volume loss lower than that of a like assembly without a nanocomposite barrier film by a factor of at least 1.5.
• US8367193B1
  申请人：——

  公开号：US8367193B1

  公开（公告）日：2013-02-05
• US9782776B2
  申请人：——

  公开号：US9782776B2

  公开（公告）日：2017-10-10