ChemSpider 2D Image | ritipenem acoxil | C13H16N2O8S

ritipenem acoxil

  • Molecular FormulaC13H16N2O8S
  • Average mass360.340 Da
  • Monoisotopic mass360.062744 Da
  • ChemSpider ID23089156
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(acetyloxy)methyl 3-[(carbamoyloxy)methyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
3-[(Carbamoyloxy)méthyl]-6-[(1R)-1-hydroxyéthyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ène-2-carboxylate d'acétoxyméthyle [French] [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-, (acetyloxy)methyl ester [ACD/Index Name]
Acetoxymethyl 3-[(carbamoyloxy)methyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate [ACD/IUPAC Name]
Acetoxymethyl-3-[(carbamoyloxy)methyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-2-carboxylat [German] [ACD/IUPAC Name]
ritipenem acoxil

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 656.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±6.0 kJ/mol
Flash Point: 350.6±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 80.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.56
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.56
Polar Surface Area: 171 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 75.2±5.0 dyne/cm
Molar Volume: 228.5±5.0 cm3

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