기본 정보
- CAS
6330-96-7- 표준 SMILES
CC(=O)Nc1cc2c(O)c(N=Nc3ccc(C(=O)Nc4ccc(N=Nc5ccc(S(=O)(=O)O)cc5)cc4)cc3)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O- InChIKey
DVROPABFANSCGB-UHFFFAOYSA-N- 분자식
- C31H24N6O12S3
- 평균 분자량
- 768.8 g/mol
- 단동위원소 질량
- 768.06143374
이름 및 식별자
- 우선 이름
- 6-(Acetylamino)-4-hydroxy-3-((E)-(4-(((4-((E)-(4-sulfophenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)naphthalene-2,7-disulfonic acid
- IUPAC
- 6-acetamido-4-hydroxy-3-[[4-[[4-[(4-sulfophenyl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid
이름 및 동의어
NSC45617NSC 456176330-96-76-(Acetylamino)-4-hydroxy-3-((E)-(4-(((4-((E)-(4-sulfophenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)naphthalene-2,7-disulfonic acid6-(Acetylamino)-4-hydroxy-3-((E)-{4-[({4-[(E)-(4-sulfophenyl)diazenyl]phenyl}amino)carbonyl]phenyl}diazenyl)naphthalene-2,7-disulfonic acidZ5R75CM7FR2,7-Naphthalenedisulfonic acid, 6-(acetylamino)-4-hydroxy-3-[2-[4-[[[4-[2-(4-sulfophenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2,7-Naphthalenedisulfonic acid, 6-acetamido-4-hydroxy-3-[[p-[[p-[(p-sulfophenyl)azo]phenyl]carbamoyl]phenyl]azo]-6-(Acetylamino)-4-hydroxy-3-[2-[4-[[[4-[2-(4-sulfophenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid6-acetamido-4-hydroxy-3-[(E)-[4-[[4-[(E)-(4-sulfophenyl)azo]phenyl]carbamoyl]phenyl]azo]naphthalene-2,7-disulfonic acid802557-46-6
데이터베이스 식별자
- CAS
6330-96-7、802557-46-6- PubChem CID
- 413243
- UNII
- Z5R75CM7FR
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 316 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,650
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