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Home Carboxys 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-(formylamino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-(formylamino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-

CAS No.:
64527-04-4
Catalog Number:
AG01CBBK
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01CBBK
Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-(formylamino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
CAS Number:
64527-04-4
IUPAC Name:
(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChI:
InChI=1S/C9H12N2O4S/c1-9(2)5(8(14)15)11-6(13)4(10-3-12)7(11)16-9/h3-5,7H,1-2H3,(H,10,12)(H,14,15)/t4-,5+,7-/m1/s1
InChI Key:
MDQGTDMBVJCTBN-JCGDXUMPSA-N
UNII:
2TC14ZH3A5
Properties
Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
IgE antibodies for penicillins and cephalosporins in rats. II. Antigenic specificity of rat anti-penicillin-OvA IgE sera. The Journal of antibiotics 19810101
Properties