ChemSpider 2D Image | Ethyl (3R)-3-{[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]carbonyl}-5-hexenoate | C19H23NO5

Ethyl (3R)-3-{[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]carbonyl}-5-hexenoate

  • Molecular FormulaC19H23NO5
  • Average mass345.390 Da
  • Monoisotopic mass345.157623 Da
  • ChemSpider ID30653376

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-{[(4S)-4-Benzyl-2-oxo-1,3-oxazolidin-3-yl]carbonyl}-5-hexénoate d'éthyle [French] [ACD/IUPAC Name]
3-Oxazolidinebutanoic acid, γ,2-dioxo-4-(phenylmethyl)-β-2-propen-1-yl-, ethyl ester, (βR,4S)- [ACD/Index Name]
Ethyl (3R)-3-{[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]carbonyl}-5-hexenoate [ACD/IUPAC Name]
Ethyl-(3R)-3-{[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]carbonyl}-5-hexenoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 506.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 260.0±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.36
ACD/KOC (pH 5.5): 942.59
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.36
ACD/KOC (pH 7.4): 942.59
Polar Surface Area: 73 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 291.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement