2-[[5-(氨羰基)-1-乙基-2-羟基-4-甲 基-6-氧代-3-砒啶基]偶氮]-4-[(4-氨 -6-氯-1,3,5-三嗪-2-基) 氨]-5-[[4-[[2-(磺基氧基)乙基]磺酰 基]苯基]偶氮]苯磺酸钠
Sodium 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid · CAS 161412-69-7
- 中文名
- 2-[[5-(氨羰基)-1-乙基-2-羟基-4-甲 基-6-氧代-3-砒啶基]偶氮]-4-[(4-氨 -6-氯-1,3,5-三嗪-2-基) 氨]-5-[[4-[[2-(磺基氧基)乙基]磺酰 基]苯基]偶氮]苯磺酸钠
- 中文别名
- 暂无
- 英文名
- Sodium 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid
- CAS
- 161412-69-7
- CID
- 136274484
- IUPAC 名称
- sodium 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid
名称与编号
- 中文名
- 2-[[5-(氨羰基)-1-乙基-2-羟基-4-甲 基-6-氧代-3-砒啶基]偶氮]-4-[(4-氨 -6-氯-1,3,5-三嗪-2-基) 氨]-5-[[4-[[2-(磺基氧基)乙基]磺酰 基]苯基]偶氮]苯磺酸钠
- 中文别名
- 暂无
- 英文名
- Sodium 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid
- CAS
- 161412-69-7
- CID
- 136274484
- IUPAC 名称
- sodium 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid
分子属性
- 分子式
- C26H26ClN11NaO12S3+
- 分子量
- 839.2 g/mol
- 精确质量
- 838.0510758 Da
- 单同位素质量
- 838.0510758 Da
- XLogP
- 暂无
- 极性表面积
- 387 Ų
- 氢键供体
- 6
- 氢键受体
- 21
- 可旋转键
- 14
- 重原子数
- 54
- 净电荷
- 1
- 结构复杂度
- 1840
结构标识
- InChIKey
- PGRBFPUOQULPSO-UHFFFAOYSA-N
- SMILES
- CCN1C(=C(C(=C(C1=O)N=NC2=CC(=CC(=C2NC3=NC(=NC(=N3)N)Cl)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)C)C(=O)N)O.[Na+]
- InChI
- InChI=1S/C26H26ClN11O12S3.Na/c1-3-38-22(40)18(21(28)39)12(2)19(23(38)41)37-36-17-11-15(52(44,45)46)10-16(20(17)30-26-32-24(27)31-25(29)33-26)35-34-13-4-6-14(7-5-13)51(42,43)9-8-50-53(47,48)49;/h4-7,10-11,40H,3,8-9H2,1-2H3,(H2,28,39)(H,44,45,46)(H,47,48,49)(H3,29,30,31,32,33);/q;+1