Pudexacianinium chloride [WHO-DD] | 2243793-22-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Pudexacianinium chloride [WHO-DD]
• 英文别名: 3-[(2E)-2-[2-[3-[(E)-2-[1,1-dimethyl-3-[3-oxo-3-[3-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26R,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,41,42,43,44,45,46,47,48,49-tridecahydroxy-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-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-40-yl]oxy]propylamino]propyl]benzo[e]indol-3-ium-2-yl]ethenyl]-2-methoxycyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]-N-[3-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,42,43,44,45,46,47,48,49-tridecahydroxy-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-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-41-yl]oxy]propyl]propanamide;chloride
• CAS: 2243793-22-6
• 化学式: C135H197ClN4O73
• 分子量: 3079.4
• InChiKey: GZTBUIDHFZUESL-VJGHJLQJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -22.97
• 重原子数：
  213
• 可旋转键数：
  34
• 环数：
  49.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  1160
• 氢给体数：
  42
• 氢受体数：
  75