4-Amino-3-((4'-((8-amino-1-hydroxy-3,6-disulpho-2-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-((4-sulphophenyl)azo)naphthalene-2,7-disulphonic acid
기본 정보
- CAS
93920-42-4- 표준 SMILES
Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(N=Nc7ccc(S(=O)(=O)O)cc7)c(O)c6c5N)cc4)cc3)c(O)c12- InChIKey
DHWSFKBCIYZHDH-UHFFFAOYSA-N- 분자식
- C38H28N8O17S5
- 평균 분자량
- 1,029 g/mol
- 단동위원소 질량
- 1,028.01759732
이름 및 식별자
- 우선 이름
- 4-Amino-3-((4'-((8-amino-1-hydroxy-3,6-disulpho-2-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-((4-sulphophenyl)azo)naphthalene-2,7-disulphonic acid
- IUPAC
- 4-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxy-6-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
- 영어명
- 4-amino-3-[[4'-[(8-amino-1-hydroxy-3,6-disulpho-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid
- 분자식
- C38H28N8O17S5
- 분자량
- 1029
이름 및 동의어
EINECS 300-129-593920-42-44-Amino-3-((4'-((8-amino-1-hydroxy-3,6-disulpho-2-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-((4-sulphophenyl)azo)naphthalene-2,7-disulphonic acidDHWSFKBCIYZHDH-UHFFFAOYSA-NDTXSID901098952NS000643674-Amino-3-[2-[4a(2)-[2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl][1,1a(2)-biphenyl]-4-yl]diazenyl]-5-hydroxy-6-[2-(4-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid4-Amino-3-[[4'-[(8-amino-1-hydroxy-3,6-disulfo-2-naphtyl)azo]-1,1'-biphenyl-4-yl]azo]-5-hydroxy-6-[(4-sulfophenyl)azo]-2,7-naphthalenedisulfonic acid4-amino-3-[[4'-[(8-amino-1-hydroxy-3,6-disulpho-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid4-Amino-3-[[4'-[(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulfophenyl)azo]-2,7-naphthalenedisulfonic acid
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 480 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 25
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 68
- 형식 전하
- 0
- 복잡도
- 2,440
물리화학적 성질
- 밀도
- 1.885 · 1.885±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 10.799 · 10.799±0.50(predicted)
관련 반응
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