ChemSpider 2D Image | Dimethyl [(3R,4S)-3-ethyl-2-oxo-3,4-diphenyl-3,4-dihydro-2H-pyran-6-yl]phosphonate | C21H23O5P

Dimethyl [(3R,4S)-3-ethyl-2-oxo-3,4-diphenyl-3,4-dihydro-2H-pyran-6-yl]phosphonate

  • Molecular FormulaC21H23O5P
  • Average mass386.378 Da
  • Monoisotopic mass386.128296 Da
  • ChemSpider ID74164685

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3R,4S)-3-Éthyl-2-oxo-3,4-diphényl-3,4-dihydro-2H-pyran-6-yl]phosphonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl [(3R,4S)-3-ethyl-2-oxo-3,4-diphenyl-3,4-dihydro-2H-pyran-6-yl]phosphonate [ACD/IUPAC Name]
Dimethyl-[(3R,4S)-3-ethyl-2-oxo-3,4-diphenyl-3,4-dihydro-2H-pyran-6-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(3R,4S)-3-ethyl-3,4-dihydro-2-oxo-3,4-diphenyl-2H-pyran-6-yl]-, dimethyl ester [ACD/Index 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: 516.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 278.9±50.4 °C
Index of Refraction: 1.570
Molar Refractivity: 102.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1052.51
ACD/KOC (pH 5.5): 5068.83
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1052.51
ACD/KOC (pH 7.4): 5068.83
Polar Surface Area: 72 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 313.5±5.0 cm3

Click to predict properties on the Chemicalize site


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