Home Carboxys 7-Amino-3-vinyl-3-cephem-4-carboxylic acid

7-Amino-3-vinyl-3-cephem-4-carboxylic acid

CAS No.:
79349-82-9
Catalog Number:
AG0059DU
Molecular Formula:
C9H10N2O3S
Molecular Weight:
226.2523
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$155
- +
5g
98%
In Stock USA
United States
$483
- +
Product Description
Catalog Number:
AG0059DU
Chemical Name:
7-Amino-3-vinyl-3-cephem-4-carboxylic acid
CAS Number:
79349-82-9
Molecular Formula:
C9H10N2O3S
Molecular Weight:
226.2523
MDL Number:
MFCD07782149
IUPAC Name:
(6R,7R)-7-amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C9H10N2O3S/c1-2-4-3-15-8-5(10)7(12)11(8)6(4)9(13)14/h2,5,8H,1,3,10H2,(H,13,14)/t5-,8-/m1/s1
InChI Key:
GQLGFBRMCCVQLU-SVGQVSJJSA-N
SMILES:
C=CC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)N
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
226.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.25g/mol
Monoisotopic Mass:
226.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8  
Properties