기본 정보
- CAS
68313-69-9- 표준 SMILES
O=C(OC(c1ccccc1)c1ccccc1)C(N1C(=O)C2N=C(c3ccccc3)OC21)C(O)(CO)CCl- InChIKey
SUVJZPSWADVSLN-UHFFFAOYSA-N- 분자식
- C28H25ClN2O6
- 평균 분자량
- 521 g/mol
- 단동위원소 질량
- 520.1401142
이름 및 식별자
- 우선 이름
- Benzhydryl 3-(chloromethyl)-3,4-dihydroxy-2-(7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)butanoate
- IUPAC
- benzhydryl 3-(chloromethyl)-3,4-dihydroxy-2-(7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)butanoate
- 영어명
- α-[2-Chloro-1-hydroxy-1-(hydroxyMethyl)ethyl]-7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-ene-6-acetic Acid DiphenylMethyl Ester
- 분자식
- C28H25ClN2O6
- 분자량
- 520.96
이름 및 동의어
68313-69-9Benzhydryl 3-(chloromethyl)-3,4-dihydroxy-2-(7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)butanoatealpha-[2-Chloro-1-hydroxy-1-(hydroxymethyl)ethyl]-7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-ene-6-acetic Acid Diphenylmethyl Esteralpha-[2-Chloro-1-hydroxy-1-(hydroxymethyl)ethyl]-7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-eneDB-372156α-[2-Chloro-1-hydroxy-1-(hydroxymethyl)ethyl]-7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-ene-6-acetic Acid Diphenylmethyl Ester4-Oxa-2,6-diazabicyclo[3.2.0]hept-2-ene-6-acetic acid, α-[2-chloro-1-hydroxy-1-(hydroxymethyl)ethyl]-7-oxo-3-phenyl-, diphenylmethyl ester
데이터베이스 식별자
- CAS
68313-69-9- PubChem CID
- 131667601
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 834
물리화학적 성질
- 끓는 점
- 775.2 · 775.2±60.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름, 메탄올에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.86 · 11.86±0.29(Predicted)
- 색상
- 회백색
화학 및 산업
응용 분야
용도α-[2-Chloro-1-hydroxy-1-(hydroxymethyl)ethyl]-7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-ene-6-acetic Acid Diphenylmethyl Ester is an intermediate in the synthesis of oxacephem derived beta-lactam antibiotic that is particularly effective against gram-positive bacteria.
공급사5 곳
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