ChemSpider 2D Image | 4-Hydroxy-6-[(2R)-1-phenyl-2-butanyl]-3-[(1R)-1-phenylpropyl]-2H-pyran-2-one | C24H26O3

4-Hydroxy-6-[(2R)-1-phenyl-2-butanyl]-3-[(1R)-1-phenylpropyl]-2H-pyran-2-one

  • Molecular FormulaC24H26O3
  • Average mass362.461 Da
  • Monoisotopic mass362.188202 Da
  • ChemSpider ID62398916

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2H-Pyran-2-one, 4-hydroxy-6-[(1R)-1-(phenylmethyl)propyl]-3-[(1R)-1-phenylpropyl]- [ACD/Index Name]
4-Hydroxy-6-[(2R)-1-phenyl-2-butanyl]-3-[(1R)-1-phenylpropyl]-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-6-[(2R)-1-phenyl-2-butanyl]-3-[(1R)-1-phenylpropyl]-2H-pyran-2-one [ACD/IUPAC Name]
4-Hydroxy-6-[(2R)-1-phényl-2-butanyl]-3-[(1R)-1-phénylpropyl]-2H-pyran-2-one [French] [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: 518.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 206.0±22.9 °C
Index of Refraction: 1.600
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 3880.57
ACD/KOC (pH 5.5): 9700.32
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 79.87
ACD/KOC (pH 7.4): 199.65
Polar Surface Area: 47 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 312.9±3.0 cm3

Click to predict properties on the Chemicalize site


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