Rtipenem Acoxil

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Properties Simple | Detailed

Formula C13H16N2O8S
IUPAC Name acetoxymethyl (5r,6s)-3-(carbamoyloxymethyl)-6-[(1r)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular Mass 360.340 g·mol−1
Heat of Formation -1255.3 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 390.22 Å 3
Surface Area 332.3 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6s)-3-(carbamoyloxymethyl)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid acetoxymethyl ester
  • (5r,6s)-3-(carbamoyloxymethyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid acetoxymethyl ester
  • acetoxymethyl (5r,6s)-3-(carbamoyloxymethyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
  • acetyloxymethyl (5r,6s)-3-(aminocarbonyloxymethyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
  • fce-22891
InChIKey FZKGLCPKPZBGLX-ROXVQFJHSA-N
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