Ritipenem

Molecule SVG Image

Properties Simple | Detailed

Formula C10H12N2O6S
IUPAC Name (5r,6s)-3-(carbamoyloxymethyl)-6-[(1r)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 288.277 g·mol−1
Heat of Formation -881.2 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 306.78 Å 3
Surface Area 280.98 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6s)-3-(aminocarbonyloxymethyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6s)-3-(carbamoyloxymethyl)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6s)-6-((1r)-1-hydroxyethyl)-3-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-carbamate
  • 4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-6-(1-hydroxyethyl)-7-oxo-, (5r-(5alpha,6alpha(r*)))-
InChIKey IKQNRQOUOZJHTR-UWBRJAPDSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N