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[1,8-diamino-8-(2-ethylsulfanylethylazaniumylidene)octylidene]-[2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28R,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,35-pentakis(hydroxymethyl)-30-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethylsulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methylsulfanyl]ethyl]azanium

中文名称
——
中文别名
——
英文名称
[1,8-diamino-8-(2-ethylsulfanylethylazaniumylidene)octylidene]-[2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28R,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,35-pentakis(hydroxymethyl)-30-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethylsulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methylsulfanyl]ethyl]azanium
英文别名
——
[1,8-diamino-8-(2-ethylsulfanylethylazaniumylidene)octylidene]-[2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28R,31S,33S,36R,38R,40R,42R,44R,46R,48R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,35-pentakis(hydroxymethyl)-30-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethylsulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methylsulfanyl]ethyl]azanium化学式
CAS
——
化学式
C63H109N7O34S3+2
mdl
——
分子量
1604.8
InChiKey
JKAANGADWJDOSL-JDXPCBEFSA-P
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -12.5
  • 重原子数:
    107
  • 可旋转键数:
    28
  • 环数:
    22.0
  • sp3杂化的碳原子比例:
    0.9
  • 拓扑面积:
    727
  • 氢给体数:
    25
  • 氢受体数:
    38