기본 정보
- CAS
68239-03-2- 표준 SMILES
Cc1cc(S(=O)(=O)O)cc(CNC(=O)NCc2cc(S(=O)(=O)O)ccc2O)c1O.N.N- InChIKey
SZPGNGYOHQMTJL-UHFFFAOYSA-N- 분자식
- C16H24N4O9S2
- 평균 분자량
- 480.5 g/mol
- 단동위원소 질량
- 480.0984707
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 4-hydroxy-3-[[[[[(2-hydroxy-5-sulfophenyl)methyl]amino]carbonyl]amino]methyl]-5-methyl-, ammonium salt (1:2)
- IUPAC
- azane;4-hydroxy-3-[[(2-hydroxy-5-sulfophenyl)methylcarbamoylamino]methyl]-5-methylbenzenesulfonic acid
이름 및 동의어
EINECS 269-415-468239-03-2Benzenesulfonic acid, 4-hydroxy-3-((((((2-hydroxy-5-sulfophenyl)methyl)amino)carbonyl)amino)methyl)-5-methyl-, ammonium salt (1:2)Benzenesulfonic acid, 4-hydroxy-3-((((((2-hydroxy-5-sulfophenyl)methyl)amino)carbonyl)amino)methyl)-5-methyl-, diammonium saltBenzenesulfonic acid, 4-hydroxy-3-[[[[[(2-hydroxy-5-sulfophenyl)methyl]amino]carbonyl]amino]methyl]-5-methyl-, diammonium saltBenzenesulfonic acid, 4-hydroxy-3-[[[[[(2-hydroxy-5-sulfophenyl)methyl]amino]carbonyl]amino]methyl]-5-methyl-, ammonium salt (1:2)RefChem:564644DTXSID8071308NS001223394-Hydroxy-3-[({[(2-hydroxy-5-sulfophenyl)methyl]carbamoyl}amino)methyl]-5-methylbenzene-1-sulfonic acid--ammonia (1/2)Diammonium 4-hydroxy-3-((((((2-hydroxy-5-sulphonatophenyl)methyl)amino)carbamoyl)methyl)-5-methylbenzenesulphonate
데이터베이스 식별자
- CAS
68239-03-2- PubChem CID
- 109874
- DTXSID
DTXSID8071308- EC Number
- 269-415-4
물성
구조 계산 물성
- 극성 표면적
- 209 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 775
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenesulfonic acid, 4-hydroxy-3-[[[[[(2-hydroxy-5-sulfophenyl)methyl]amino]carbonyl]amino]methyl]-5-methyl-, ammonium salt (1:2): INACTIVE
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