Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-Amino-3-((4'-((2,4-dihydroxyphenyl)azo)(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-((4-sulphophenyl)azo)naphthalene-2,7-disulphonic acid
4-Amino-3-[[4'-[(2,4-dihydroxyphenyl)azo]-1,1'-biphenyl-4-yl]azo]-5-hydroxy-6-[(4-sulfophenyl)azo]-2,7-naphthalenedisulfonic acid · 4-Amino-3-[[4'-[(2,4-dihydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulfophenyl)azo]-2,7-naphthalenedisulfonic acid · 4-amino-3-[[4'-[(2,4-dihydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid · 2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4'-[2-(2,4-dihydroxyphenyl)diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-5-hydroxy-6-[2-(4-sulfophenyl)diazenyl]-
식별자 및 물리적 특성
| CAS No. | 93920-41-3 |
|---|---|
| 분자식 | C34H25N7O12S3 |
| 평균 분자량 | 819.8 g/mol |
| 단동위원소 질량 | 819.07233278 g/mol |
| SMILES | Nc1c(N=Nc2ccc(-c3ccc(N=Nc4ccc(O)cc4O)cc3)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(S(=O)(=O)O)cc3)c(O)c12 |
| InChIKey | NUELWJVIGMYJMX-UHFFFAOYSA-N |
| PubChem CID | 136171069 |
| EC No. | 300-127-4 |
| DTXSID | DTXSID901100189 |
화학 및 물리적 성질
| XLogP | 5.2 |
|---|---|
| 극성 표면적 | 349 |
| 수소 결합 공여자 수 | 7 |
| 수소 결합 수용자 수 | 19 |
| 회전 가능 결합 수 | 10 |
| 무거운 원자 수 | 56 |
| 형식 전하 | 0 |
| 복잡도 | 1,750 |
| 밀도 | 1.72±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | -1.29±0.50(Predicted) |