ChemSpider 2D Image | Methyl (2S,3R)-3-[(5Z)-5-benzylidene-4-hydroxy-2-oxo-2,5-dihydro-3-furanyl]-2,3-diphenylpropanoate | C27H22O5

Methyl (2S,3R)-3-[(5Z)-5-benzylidene-4-hydroxy-2-oxo-2,5-dihydro-3-furanyl]-2,3-diphenylpropanoate

  • Molecular FormulaC27H22O5
  • Average mass426.461 Da
  • Monoisotopic mass426.146729 Da
  • ChemSpider ID78436269

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3-[(5Z)-5-Benzylidène-4-hydroxy-2-oxo-2,5-dihydro-3-furanyl]-2,3-diphénylpropanoate de méthyle [French] [ACD/IUPAC Name]
3-Furanpropanoic acid, 2,5-dihydro-4-hydroxy-2-oxo-α,β-diphenyl-5-(phenylmethylene)-, methyl ester, (αS,βR,5Z)- [ACD/Index Name]
Methyl (2S,3R)-3-[(5Z)-5-benzylidene-4-hydroxy-2-oxo-2,5-dihydro-3-furanyl]-2,3-diphenylpropanoate [ACD/IUPAC Name]
Methyl-(2S,3R)-3-[(5Z)-5-benzyliden-4-hydroxy-2-oxo-2,5-dihydro-3-furanyl]-2,3-diphenylpropanoat [German] [ACD/IUPAC Name]
Ravenelone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 592.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 200.2±23.6 °C
Index of Refraction: 1.673
Molar Refractivity: 121.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 614.47
ACD/KOC (pH 5.5): 1745.92
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 10.60
ACD/KOC (pH 7.4): 30.12
Polar Surface Area: 73 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 323.8±3.0 cm3

Click to predict properties on the Chemicalize site


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