(6R,7R)-7-Amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Properties
- Molecular formula
- C9H10N2O3S
- Molar mass
- 226.25 g/mol
- Exact mass
- 226.0412 Da
- Melting point
- above 200 °C (decomposes)
- logP
- -0.25Crippen estimate
- Polar surface area
- 83.6 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 2
Identifiers
CAS number
79349-82-9SMILES
C=CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1InChIKey
GQLGFBRMCCVQLU-SVGQVSJJSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-ethenyl-8-oxo-, (6R,7R)-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-ethenyl-8-oxo-, (6R-trans)-
- 7-Amino-3-vinyl-3-cephem-4-carboxylic acid