氯化N-(羧甲基)-N-[3-[[(十七氟辛 基)磺酰基]氨基]丙基]-2-羟 基]-N-(2-羟基-3-磺基丙基)-3-磺基-1-丙铵三钠盐
N-(Carboxymethyl)-N-[3-[[(perfluorooctyl)sulfonyl]amino]propyl]-N,N-bis(2-hydroxy-3-sulfopropyl)ammonium chloride, trisodium · CAS 109669-84-3
- 中文名
- 氯化N-(羧甲基)-N-[3-[[(十七氟辛 基)磺酰基]氨基]丙基]-2-羟 基]-N-(2-羟基-3-磺基丙基)-3-磺基-1-丙铵三钠盐
- 中文别名
- 暂无
- 英文名
- N-(Carboxymethyl)-N-[3-[[(perfluorooctyl)sulfonyl]amino]propyl]-N,N-bis(2-hydroxy-3-sulfopropyl)ammonium chloride, trisodium
- CAS
- 109669-84-3
- CID
- 138396248
- IUPAC 名称
- trisodium;3-[carboxymethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanidyl)propyl]-(2-hydroxy-3-sulfonatopropyl)azaniumyl]-2-hydroxypropane-1-sulfonate;chloride
名称与编号
- 中文名
- 氯化N-(羧甲基)-N-[3-[[(十七氟辛 基)磺酰基]氨基]丙基]-2-羟 基]-N-(2-羟基-3-磺基丙基)-3-磺基-1-丙铵三钠盐
- 中文别名
- 暂无
- 英文名
- N-(Carboxymethyl)-N-[3-[[(perfluorooctyl)sulfonyl]amino]propyl]-N,N-bis(2-hydroxy-3-sulfopropyl)ammonium chloride, trisodium
- CAS
- 109669-84-3
- CID
- 138396248
- IUPAC 名称
- trisodium;3-[carboxymethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylazanidyl)propyl]-(2-hydroxy-3-sulfonatopropyl)azaniumyl]-2-hydroxypropane-1-sulfonate;chloride
分子属性
- 分子式
- C19H21ClF17N2Na3O12S3
- 分子量
- 993 g/mol
- 精确质量
- 991.9366769 Da
- 单同位素质量
- 991.9366769 Da
- XLogP
- 暂无
- 极性表面积
- 252 Ų
- 氢键供体
- 3
- 氢键受体
- 31
- 可旋转键
- 20
- 重原子数
- 57
- 净电荷
- 0
- 结构复杂度
- 1550
结构标识
- InChIKey
- JJVWYDNIARNCCI-UHFFFAOYSA-K
- SMILES
- C(C[N-]S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C[N+](CC(CS(=O)(=O)[O-])O)(CC(CS(=O)(=O)[O-])O)CC(=O)O.[Na+].[Na+].[Na+].[Cl-]
- InChI
- InChI=1S/C19H23F17N2O12S3.ClH.3Na/c20-12(21,14(24,25)16(28,29)18(32,33)34)13(22,23)15(26,27)17(30,31)19(35,36)53(49,50)37-2-1-3-38(6-11(41)42,4-9(39)7-51(43,44)45)5-10(40)8-52(46,47)48;;;;/h9-10,39-40H,1-8H2,(H,41,42)(H,43,44,45)(H,46,47,48);1H;;;/q;;3*+1/p-3