Ethyl (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylate
기본 정보
- CAS
1463501-42-9- 표준 SMILES
CCOC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1- InChIKey
PVECPYUZEQQDKD-KGLIPLIRSA-N- 분자식
- C16H20N2O4
- 평균 분자량
- 304.34 g/mol
- 단동위원소 질량
- 304.14230712
이름 및 식별자
- 우선 이름
- Ethyl (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylate
- IUPAC
- ethyl (2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate
- 영어명
- 1,6-Diazabicyclo[3.2.1]octane-2-carboxylic acid, 7-oxo-6-(phenylmethoxy)-, ethyl ester, (1R,2S,5R)-
- 분자식
- C16H20N2O4
- 분자량
- 304.34
이름 및 동의어
1416134-63-8Ethyl (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylateMFCD30719356methyl (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylateethyl (2S,5R)-6-benzyloxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylateethyl (2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate1,6-Diazabicyclo[3.2.1]octane-2-carboxylic acid, 7-oxo-6-(phenylmethoxy)-, ethyl ester, (1R,2S,5R)-(2S,5R)-ethyl 6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylate1463501-42-9Avibactam Impurity 219UBA96TTJ8SCHEMBL14243919
이름 더 보기
Ethyl (1R,2S,5R)-7-oxo-6-(phenylmethoxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxy…
PVECPYUZEQQDKD-KGLIPLIRSA-NAKOS037644697AS-54236SY099666CS-0049562P17660F519257(2S,5R)-6-benzyloxy-7-oxo-1,6-diaza-bicyclo[3.2.1]octane-2-carboxylic acid ethyl ester
데이터베이스 식별자
- CAS
1463501-42-9- PubChem CID
- 72204974
- UNII
- 9UBA96TTJ8
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 59.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 422
물리화학적 성질
- 끓는 점
- 455.7 · 455.7±34.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.76 · -2.76±0.40(Predicted)
관련 반응
25건
화합물 노트
불러오는 중…