기본 정보
- CAS
68015-59-8- 표준 SMILES
COc1cc(N=Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(OS(=O)(=O)c4ccccc4)cc23)c(C)cc1NC(=O)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1- InChIKey
OXULSNOGWMPUPF-UHFFFAOYSA-N- 분자식
- C35H28N4O15S4
- 평균 분자량
- 872.9 g/mol
- 단동위원소 질량
- 872.04340089
이름 및 식별자
- 우선 이름
- 5-[2-[4-[[[(5-Hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-5-methoxy-2-methylphenyl]diazenyl]-3-[(phenylsulfonyl)oxy]-2,7-naphthalenedisulfonic acid
- IUPAC
- 3-(benzenesulfonyloxy)-5-[[4-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonic acid
- 영어명
- 4-[[4-[[[(5-Hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-6-[(phenylsulfonyl)oxy]-2,7-naphthalenedisulfonic acid
- 분자식
- C35H28N4O15S4
- 분자량
- 872.87
이름 및 동의어
68015-59-85-[2-[4-[[[(5-Hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-5-methoxy-2-methylphenyl]diazenyl]-3-[(phenylsulfonyl)oxy]-2,7-naphthalenedisulfonic acid5-(2-(4-((((5-Hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-5-methoxy-2-methylphenyl)diazenyl)-3-((phenylsulfonyl)oxy)-2,7-naphthalenedisulfonic acidRefChem:2993532,7-Naphthalenedisulfonic acid, 4-[[4-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-6-[(phenylsulfonyl)oxy]-2,7-Naphthalenedisulfonic acid, 4-((4-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-5-methoxy-2-methylphenyl)azo)-6-((phenylsulfonyl)oxy)-DTXSID2070978OXULSNOGWMPUPF-UHFFFAOYSA-N2,7-Naphthalenedisulfonic acid, 5-(2-(4-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-5-methoxy-2-methylphenyl)diazenyl)-3-((phenylsulfonyl)oxy)-N-(4-Hydroxy-2-sulfo-7-naphthyl)-N'-(2-methoxy-5-methyl-4-((7-phenylsulfonoxy-3,6-disulfo-1-naphthyl)azo)phenyl)ureaN-(4-Hydroxy-2-sulfo-7-naphthyl)-N'-(2-methoxy-5-methyl-4-(7-benzenesulfonoxy-3,6-disulfo-1-naphthylazo)phenyl)urea
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 335 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,920
물리화학적 성질
- EPA
- 2 · 2,7-Naphthalenedisulfonic acid, 4-[[4-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-6-[(phenylsulfonyl)oxy]- (68015-59-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 5-[2-[4-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-5-methoxy-2-methylphenyl]diazenyl]-3-[(phenylsulfonyl)oxy]-: INACTIVE
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