7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsure
Bezeichnung:7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsure
CAS-Nr26395-99-3
Englisch Name:7-Aminodesacetoxycephalosporanic acid
CBNumberCB6505567
SummenformelC8H10N2O3S
Molgewicht214.24
MOL-Datei26395-99-3.mol
Synonyma
7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsure
7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsure physikalisch-chemischer Eigenschaften
| Schmelzpunkt | >185°C (dec._) |
| Siedepunkt | 517.6±50.0 °C(Predicted) |
| Dichte | 1.59±0.1 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| Löslichkeit | Aqueous Base (Slightly), DMSO (Very Slightly, Heated) |
| pka | 3.04±0.50(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Pale Beige |
| InChI | InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13) |
| InChIKey | NVIAYEIXYQCDAN-UHFFFAOYSA-N |
| SMILES | N12C(C(N)C1=O)SCC(C)=C2C(O)=O |
