4-[[3-[[3-[[3-[[5-[[6,8-Bis(hydroxy-oxo-oxoniumylidene-lambda6-sulfanyl)-4-sulfonatonaphthalen-1-yl]carbamoyl]-2-methylphenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-4-methylbenzoyl]amino]-5,7-bis(hydroxy-oxo-oxoniumylidene-lambda6-sulfanyl)naphthalene-1-sulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[[3-[[3-[[3-[[5-[[6,8-Bis(hydroxy-oxo-oxoniumylidene-lambda6-sulfanyl)-4-sulfonatonaphthalen-1-yl]carbamoyl]-2-methylphenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-4-methylbenzoyl]amino]-5,7-bis(hydroxy-oxo-oxoniumylidene-lambda6-sulfanyl)naphthalene-1-sulfonate
• 英文别名: 4-[[3-[[3-[[3-[[5-[[6,8-bis(hydroxy-oxo-oxoniumylidene-λ6-sulfanyl)-4-sulfonatonaphthalen-1-yl]carbamoyl]-2-methylphenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-4-methylbenzoyl]amino]-5,7-bis(hydroxy-oxo-oxoniumylidene-λ6-sulfanyl)naphthalene-1-sulfonate
• 化学式: C51H42N6O23S6+2
• 分子量: 1299.3
• InChiKey: FIAFUQMPZJWCLV-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  86
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  475
• 氢给体数：
  14
• 氢受体数：
  19