CAS: 957-68-6
名称: (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES:
CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O分子加工
分子式
C10H12N2O5S
分子量
272.28
精确质量
272.0467
XLogP
-0.87
TPSA
109.93
氢键给体数
2
氢键受体数
6
可旋转键
3
重原子数
18
环数
2
芳香环
0
饱和环
1
脂环
2
立体中心
2
未定义立体
2
形式电荷
0
杂原子数
8
共价单元
1
sp3占比
0.5
摩尔折射率
62.36
补充信息
InChIKey: HSHGZXNAXBPPDL-HZGVNTEJSA-N
同义词
7-Aminocephalosporanic acid957-68-67-ACA7beta-Aminocephalosporanic acid7-Aminocephalosporinic acidDTXSID9045342CHEBI:22559XI67897RG(6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidDTXCID70253425-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-7-AMINO-8-OXO-, (6R,7R)-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, (6R,7R)-7-ACA cpd(6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidRefChem:545414(6R,7R)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate213-485-07-ACS(7R)-7-aminocephalosporanic acidMFCD00005177Cephalosporanic acid, 7-amino(6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(7R)-7-Aminocephalosporanate(6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidCHEMBL1615585UNII-9XI67897RGNCGC00016552-01(6R,7R)-3-((ACETYLOXY)METHYL)-7-AMINO-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
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