기본 정보
- 표준 SMILES
CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2SC1- InChIKey
AUNFRQANODILJJ-UFHPHHKVSA-N- 분자식
- C29H26N2O5S
- 평균 분자량
- 514.6 g/mol
- 단동위원소 질량
- 514.15624311
이름 및 식별자
- 우선 이름
- benzhydryl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- IUPAC
- benzhydryl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 영어명
- diphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 분자식
- C29H26N2O5S
- 분자량
- 514.59
이름 및 동의어
10209-10-6EINECS 233-510-9benzhydryl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSCHEMBL11001684DTXSID00907080Diphenylmethyl 3-methyl-7beta-phenoxyacetamidoceph-3-em-4-carboxylate(6R,7R) 3-Methyl-7-phenoxyacetamidoceph-3-em-4-carboxylic Acid Diphenylmethyl Ester(6R,7R) 3-Methyl-7-phenoxyacetamidoceph-3-em-4-carboxylic Acid Diphenylmetyl Ester(6R,7R)3-Methyl-7-phenoxyacetamidoceph-3-em-4-carboxylic Acid Diphenylmethyl Ester5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-, diphenylmethyl ester, (6R,7R)-Diphenylmethyl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateDiphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
이름 더 보기
diphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate(6R)-3-Methyl-8-oxo-7α-(phenyloxyacetylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester(6β)-3-Methyl-7α-[(phenoxyacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid diphenylmethyl ester
N-{(6R,7R)-2-[(Diphenylmethoxy)carbonyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}(phenoxy)ethanimidic acidN-{2-[(Diphenylmethoxy)carbonyl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}-2-phenoxyethanimidic acid
데이터베이스 식별자
- CAS
10209-10-6- PubChem CID
- 112091
- DTXSID
DTXSID00907080- EC Number
- 233-510-9
- Nikkaji
- J227.109E
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 856
물리화학적 성질
- 녹는점
- 156 · 156-157 °C
- 끓는 점
- 773.9 · 773.9±60.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.25 · 12.25±0.60(Predicted)
화학 및 산업
공급사1 곳
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
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