ChemSpider 2D Image | (4S)-3-{[(1R)-2-(Methoxymethyl)-1-phenyl-2-cyclopropen-1-yl]carbonyl}-4-phenyl-1,3-oxazolidin-2-one | C21H19NO4

(4S)-3-{[(1R)-2-(Methoxymethyl)-1-phenyl-2-cyclopropen-1-yl]carbonyl}-4-phenyl-1,3-oxazolidin-2-one

  • Molecular FormulaC21H19NO4
  • Average mass349.380 Da
  • Monoisotopic mass349.131409 Da
  • ChemSpider ID30659207

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-3-{[(1R)-2-(Methoxymethyl)-1-phenyl-2-cyclopropen-1-yl]carbonyl}-4-phenyl-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-3-{[(1R)-2-(Methoxymethyl)-1-phenyl-2-cyclopropen-1-yl]carbonyl}-4-phenyl-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-3-{[(1R)-2-(Méthoxyméthyl)-1-phényl-2-cyclopropén-1-yl]carbonyl}-4-phényl-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 3-[[(1R)-2-(methoxymethyl)-1-phenyl-2-cyclopropen-1-yl]carbonyl]-4-phenyl-, (4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 527.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.9±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.02
ACD/KOC (pH 5.5): 1262.87
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.02
ACD/KOC (pH 7.4): 1262.87
Polar Surface Area: 56 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 269.9±3.0 cm3

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