(6R,7R)-Benzhydryl 7-amino-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
기본 정보
- CAS
53090-86-1- 표준 SMILES
Cn1nnnc1SCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](N)[C@H]2SC1- InChIKey
YDROWRWAIBYYQX-DYESRHJHSA-N- 분자식
- C23H22N6O3S2
- 평균 분자량
- 494.6 g/mol
- 단동위원소 질량
- 494.11948093
이름 및 식별자
- 우선 이름
- (6R,7R)-Benzhydryl 7-amino-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- IUPAC
- benzhydryl (6R,7R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 영어명
- (6R)-3-[[(1-Methyl-1H-tetrazole-5-yl)thio]methyl]-7α-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid diphenylmethyl ester
- 분자식
- C23H22N6O3S2
- 분자량
- 494.59
이름 및 동의어
benzhydryl (6R,7R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate53090-86-1(6R,7R)-Benzhydryl 7-amino-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSCHEMBL9076452YDROWRWAIBYYQX-DYESRHJHSA-Nbenzhydryl 7beta-amino-3-(1-methyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylatebenzhydryl 7beta-amino-3-[(1-methyl-1H-tetrazol-5-yl)thiomethyl]-3-cephem-4-carboxylatediphenylmethyl 7beta-amino-3-(1-methyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylateDiphenylmethyl 7beta-amino-3-(1-methyltetrazol-5-yl-thiomethyl)-ceph-3-em- 4-carboxylateDiphenylmethyl 7beta-amino-3-(1-methyltetrazol-5-yl-thiomethyl)-ceph-3-em-4 -carboxylateCefmetazole sodium Impurity 247-amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid,diphenylmethyl ester
이름 더 보기
Diphenylmethyl (6R,7R)-7-amino-3-[[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 167 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 784
물리화학적 성질
- 끓는 점
- 736.9 · 736.9±70.0 °C(Predicted)
- 밀도
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.85 · 4.85±0.60(Predicted)
관련 반응
11건
화합물 노트
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