기본 정보
- 표준 SMILES
CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SC3COC(CO)C3)C(C)C12- InChIKey
CMEJXQMXGZZPAZ-UHFFFAOYSA-N- 분자식
- C22H26N2O8S
- 평균 분자량
- 478.5 g/mol
이름 및 식별자
- 우선 이름
- 6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-[[tetrahydro-5-(hydroxymethyl)-3-furanyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester
- IUPAC
- (4-nitrophenyl)methyl 6-(1-hydroxyethyl)-3-[5-(hydroxymethyl)oxolan-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
이름 및 동의어
6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-[[tetrahydro-5-(hydroxymethyl)-3-furanyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-[[tetrahydro-5-(hydroxymethyl)-3-furanyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl]methyl esterCMEJXQMXGZZPAZ-UHFFFAOYSA-N6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-[[tetrahydro-5-(hydroxymethyl)-3-furanyl]thio]-1-azabicyclo[3.2.0]-hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester
데이터베이스 식별자
- PubChem CID
- 86750328
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 167 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 822
관련 반응
7건
화합물 노트
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