benzhydryl (6R,7R)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

HCID 112091CAS 10209-10-6

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

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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