ChemSpider 2D Image | (2S,3R)-6-Oxo-2-[(2S,3R)-3-phenyl-2-oxiranyl]-3,6-dihydro-2H-pyran-3-yl (2E)-3-phenylacrylate | C22H18O5

(2S,3R)-6-Oxo-2-[(2S,3R)-3-phenyl-2-oxiranyl]-3,6-dihydro-2H-pyran-3-yl (2E)-3-phenylacrylate

  • Molecular FormulaC22H18O5
  • Average mass362.375 Da
  • Monoisotopic mass362.115417 Da
  • ChemSpider ID28647075

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de (2S,3R)-6-oxo-2-[(2S,3R)-3-phényl-2-oxiranyl]-3,6-dihydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]
(2S,3R)-6-Oxo-2-[(2S,3R)-3-phenyl-2-oxiranyl]-3,6-dihydro-2H-pyran-3-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(2S,3R)-6-Oxo-2-[(2S,3R)-3-phenyl-2-oxiranyl]-3,6-dihydro-2H-pyran-3-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC 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: 580.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 255.2±30.2 °C
Index of Refraction: 1.632
Molar Refractivity: 98.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.49
ACD/KOC (pH 5.5): 1217.47
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.49
ACD/KOC (pH 7.4): 1217.47
Polar Surface Area: 65 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 277.2±5.0 cm3

Click to predict properties on the Chemicalize site


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