ChemSpider 2D Image | Diphenylmethyl (6R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C28H24N2O5S

Diphenylmethyl (6R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC28H24N2O5S
  • Average mass500.566 Da
  • Monoisotopic mass500.140594 Da
  • ChemSpider ID68026104

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(6R)-3-Hydroxy-8-oxo-7-[(2-phénylacétyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de diphénylméthyle [French] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-, diphenylmethyl ester, (6R)- [ACD/Index Name]
Diphenylmethyl (6R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
Diphenylmethyl-(6R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 777.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 423.8±32.9 °C
Index of Refraction: 1.708
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 10.19
ACD/KOC (pH 5.5): 92.97
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 121 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 351.1±5.0 cm3

Click to predict properties on the Chemicalize site


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