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기본 정보
- 표준 SMILES
CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SC3COC(CN=[N+]=[N-])C3)C(C)C12- InChIKey
BLRRZSKYMHMSPT-UHFFFAOYSA-N- 분자식
- C22H25N5O7S
- 평균 분자량
- 503.5 g/mol
- 단동위원소 질량
- 503.14746933
이름 및 식별자
- 우선 이름
- 3-[[5-(Azidomethyl)tetrahydro-3-furanyl]thio]-6-(1-Hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester
- IUPAC
- (4-nitrophenyl)methyl 3-[5-(azidomethyl)oxolan-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
이름 및 동의어
3-[[5-(Azidomethyl)tetrahydro-3-furanyl]thio]-6-(1-Hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester3-[[5-(Azidomethyl)tetrahydro-3-furanyl]thio]-6-(1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl esterBLRRZSKYMHMSPT-UHFFFAOYSA-N3-[[5-(Azidomethyl)tetrahydro-3-furanyl]thio]-6-(1-hydroxyethyl)-4-methyl -7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester3-[[5-(Azidomethyl)tetrahydro-3-furanyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]-hept-2-ene-2-carboxylicacid (4-nitrophenyl)methyl ester3-[[5-(Azidomethyl)tetrahydro-3-furanyl]thio]-6-(1hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo [3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester
데이터베이스 식별자
- PubChem CID
- 86750323
물성
구조 계산 물성보충 중
- XLogP
- 3.3
- 극성 표면적
- 162 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 941
관련 반응
10건
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