8,8'-{Carbonylbis[azanediyl(4-methyl-3,1-phenylene)carbonylazanediyl(4-methyl-3,1-phenylene)carbonylazanediyl(4-methyl-3,1-phenylene)carbonylazanediyl]}di(naphthalene-1,3,5-trisulfonic acid)
기본 정보
- CAS
111129-46-5- 표준 SMILES
Cc1ccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)ccc2C)cc1NC(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)ccc2C)ccc1C- InChIKey
WOXZICZKYJZDJM-UHFFFAOYSA-N- 분자식
- C69H58N8O25S6
- 평균 분자량
- 1,591.6 g/mol
- 단동위원소 질량
- 1,590.1837364
이름 및 식별자
- 우선 이름
- 8,8'-{Carbonylbis[azanediyl(4-methyl-3,1-phenylene)carbonylazanediyl(4-methyl-3,1-phenylene)carbonylazanediyl(4-methyl-3,1-phenylene)carbonylazanediyl]}di(naphthalene-1,3,5-trisulfonic acid)
- IUPAC
- 8-[[4-methyl-3-[[4-methyl-3-[[4-methyl-3-[[2-methyl-5-[[2-methyl-5-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
이름 및 동의어
111129-46-5NF 214DTXSID405832818,8'-{Carbonylbis[azanediyl(4-methyl-3,1-phenylene)carbonylazanediyl(4-methyl-3,1-phenylene)carbonylazanediyl(4-methyl-3,1-phenylene)carbonylazanediyl]}di(naphthalene-1,3,5-trisulfonic acid)1,3,5-Naphthalenetrisulfonic acid, 8,8'-[carbonylbis[imino(4-methyl-3,1-phenylene)carbonylimino(4-methyl-3,1-phenylene)carbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-8-[[4-methyl-3-[[4-methyl-3-[[4-methyl-3-[[2-methyl-5-[[2-methyl-5-[[2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
데이터베이스 식별자
- CAS
111129-46-5- PubChem CID
- 16197256
- DTXSID
DTXSID40583281
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 592 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 25
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 108
- 형식 전하
- 0
- 복잡도
- 3,780
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