기본 정보
- CAS
93919-21-2- 표준 SMILES
COc1ccc(C(=O)O)cc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3cc(C)c(N=Nc4cc(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(O)c45)cc3OC)ccc2c1O- InChIKey
MWYLDWDALWYHNN-UHFFFAOYSA-N- 분자식
- C37H30N6O16S3
- 평균 분자량
- 910.9 g/mol
- 단동위원소 질량
- 910.08804241
이름 및 식별자
- 우선 이름
- 3-[2-[1-Hydroxy-6-[[[[4-[2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-4-methoxybenzoic acid
- IUPAC
- 3-[[1-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]-4-methoxybenzoic acid
이름 및 동의어
93919-21-23-(2-(1-Hydroxy-6-((((4-(2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-4-methoxybenzoic acid3-[2-[1-Hydroxy-6-[[[[4-[2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-4-methoxybenzoic acidRefChem:273483EINECS 300-006-63-((1-Hydroxy-6-((((4-((8-hydroxy-3,6-disulpho-1-naphthyl)azo)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)-p-anisic acidDTXSID40868045NS000925543-({1-Hydroxy-6-[({4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-3-sulfonaphthalen-2-yl}diazenyl)-4-methoxybenzoic acid
데이터베이스 식별자
- CAS
93919-21-2- PubChem CID
- 166206
- DTXSID
DTXSID40868045- EC Number
- 300-006-6
- Nikkaji
- J320.468E
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 375 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,990
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…