ChemSpider 2D Image | compound 4i [PMID: 2296036] | C27H28FNO3

compound 4i [PMID: 2296036]

  • Molecular FormulaC27H28FNO3
  • Average mass433.514 Da
  • Monoisotopic mass433.205322 Da
  • ChemSpider ID23226832

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4R)-6-{2-[4-(4-Fluorophenyl)-2-isopropyl-6-phenyl-3-pyridinyl]ethyl}-4-hydroxytetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(4R)-6-{2-[4-(4-Fluorophényl)-2-isopropyl-6-phényl-3-pyridinyl]éthyl}-4-hydroxytétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
(4R)-6-{2-[4-(4-fluorophenyl)-6-phenyl-2-(propan-2-yl)pyridin-3-yl]ethyl}-4-hydroxytetrahydro-2H-pyran-2-one
(4R)-6-{2-[4-(4-Fluorphenyl)-2-isopropyl-6-phenyl-3-pyridinyl]ethyl}-4-hydroxytetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[2-[4-(4-fluorophenyl)-2-(1-methylethyl)-6-phenyl-3-pyridinyl]ethyl]tetrahydro-4-hydroxy-, (4R)- [ACD/Index Name]
compound 4i [PMID: 2296036]
(4R)-6-{2-[4-(4-fluorophenyl)-6-phenyl-2-(propan-2-yl)pyridin-3-yl]ethyl}-4-hydroxyoxan-2-one
6-{2-[4-(4-Fluoro-phenyl)-2-isopropyl-6-phenyl-pyridin-3-yl]-ethyl}-4-hydroxy-tetrahydro-pyran-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.3±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 121.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 874.56
ACD/KOC (pH 5.5): 4160.36
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1095.53
ACD/KOC (pH 7.4): 5211.52
Polar Surface Area: 59 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 367.3±3.0 cm3

Click to predict properties on the Chemicalize site


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