4-chloro-5-methyl-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate;10,30-dichloro-14,16,34,36-tetrahydroxy-4,11,24,31-tetramethyl-14,16,34,36-tetraoxido-14,16,34,36-tetraoxo-14lambda6,16lambda6,34lambda6,36lambda6-tetrathia-2,3,6,7,22,23,26,27-octazaheptacyclo[35.3.1.12,5.117,21.122,25.08,13.028,33]tetratetraconta-1(41),3,6,8(13),9,11,17,19,21(43),23,26,28(33),29,31,37,39-hexadecaene-42,44-dione

• 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: 4-chloro-5-methyl-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate;10,30-dichloro-14,16,34,36-tetrahydroxy-4,11,24,31-tetramethyl-14,16,34,36-tetraoxido-14,16,34,36-tetraoxo-14lambda6,16lambda6,34lambda6,36lambda6-tetrathia-2,3,6,7,22,23,26,27-octazaheptacyclo[35.3.1.12,5.117,21.122,25.08,13.028,33]tetratetraconta-1(41),3,6,8(13),9,11,17,19,21(43),23,26,28(33),29,31,37,39-hexadecaene-42,44-dione
• 英文别名: 4-chloro-5-methyl-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate;10,30-dichloro-14,16,34,36-tetrahydroxy-4,11,24,31-tetramethyl-14,16,34,36-tetraoxido-14,16,34,36-tetraoxo-14λ6,16λ6,34λ6,36λ6-tetrathia-2,3,6,7,22,23,26,27-octazaheptacyclo[35.3.1.12,5.117,21.122,25.08,13.028,33]tetratetraconta-1(41),3,6,8(13),9,11,17,19,21(43),23,26,28(33),29,31,37,39-hexadecaene-42,44-dione
• 化学式: C53H47Cl3N12O21S6-6
• 分子量: 1486.8
• InChiKey: BASLCNAVYGQXSF-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  8.45
• 重原子数：
  95
• 可旋转键数：
  3
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  549
• 氢给体数：
  4
• 氢受体数：
  30