7355-35-3 (2-hydroxy-3-[(2-hydroxy-5-methyl-3-sulfophenyl)methyl]-5-methylbenzenesulfonic acid,2-hydroxy-3-[(2-hydroxy-5-methyl-3-sulfophenyl)methyl]-5-methylbenzenesulfonic Acid)

CAS号:
7355-35-3
中文名称:
2-hydroxy-3-[(2-hydroxy-5-methyl-3-sulfophenyl)methyl]-5-methylbenzenesulfonic acid
英文名称:
2-hydroxy-3-[(2-hydroxy-5-methyl-3-sulfophenyl)methyl]-5-methylbenzenesulfonic Acid
分子式:
C15H16O8S2
分子量:
388.412742614746

2-hydroxy-3-[(2-hydroxy-5-methyl-3-sulfophenyl)methyl]-5-methylbenzenesulfonic acid(7355-35-3)名称与标识符

名称

中文别名:
2-hydroxy-3-[(2-hydroxy-5-methyl-3-sulfophenyl)methyl]-5-methylbenzenesulfonic acid;
英文别名:
2-hydroxy-3-[(2-hydroxy-5-methyl-3-sulfophenyl)methyl]-5-methylbenzenesulfonic Acid;AC1Q6WI8;AR-1E8808;CTK5D8194;NSC43325;Benzenesulfonic acid, 3,3'-methylenebis(2-hydroxy-5-methyl-;2,2'-Dihydroxy-5,5'-dimethyl-3,3'-methandiyl-bis-benzolsulfonsaeure;3,3'-methanediylbis(2-hydroxy-5-methylbenzenesulfonic acid);AC1L61RQ;Benzenesulfonic acid, 3,3'-methylenebis[2-hydroxy-5-methyl-;2,2'-dihydroxy-5,5'-dimethyl-3,3'-methanediyl-bis-benzenesulfonic acid;AC1Q6WI8; AR-1E8808; CTK5D8194; NSC43325; Benzenesulfonic acid, 3,3'-methylenebis(2-hydroxy-5-methyl-; 2,2'-Dihydroxy-5,5'-dimethyl-3,3'-methandiyl-bis-benzolsulfonsaeure; 3,3'-methanediylbis(2-hydroxy-5-methylbenzenesulfonic acid); AC1L61RQ; Benzenesulfonic acid, 3,3'-methylenebis[2-hydroxy-5-methyl-; 2,2'-dihydroxy-5,5'-dimethyl-3,3'-methanediyl-bis-benzenesulfonic acid;;2-hydroxy-3-[(2-hydroxy-5-methyl-3-sulfo-phenyl)methyl]-5-methyl-benzenesulfonic acid;3,3'-Methylenebis[2-hydroxy-5-methylbenzenesulfonic acid];7355-35-3;NSC 43325;26K63GPX36;DTXSID70223744;NSC-43325;

标识符

InChIKey:
SKMUJIBAYVLJGS-UHFFFAOYSA-N
Inchi:
1S/C15H16O8S2/c1-8-3-10(14(16)12(5-8)24(18,19)20)7-11-4-9(2)6-13(15(11)17)25(21,22)23/h3-6,16-17H,7H2,1-2H3,(H,18,19,20)(H,21,22,23)
SMILES:
S(C1=CC(C)=CC(=C1O)CC1C=C(C)C=C(C=1O)S(=O)(=O)O)(=O)(=O)O

2-hydroxy-3-[(2-hydroxy-5-methyl-3-sulfophenyl)methyl]-5-methylbenzenesulfonic acid(7355-35-3)物化性质

实验特性

  • LogP : 3.96040
  • PSA : 149.2
  • 折射率 : 1.651
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 密度 : 1.593

计算特性

  • 精确分子量 : 388.02868
  • 氢键供体数量 : 4
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 4
  • 同位素质量 : 388.029
  • 重原子数量 : 25
  • 复杂度 : 605
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.5
  • 拓扑分子极性表面积 : 166Ų