ChemSpider 2D Image | 2-Hydroxy-3-[(1R)-2-hydroxy-3-oxo-1-phenylbutyl]-4H-chromen-4-one | C19H16O5

2-Hydroxy-3-[(1R)-2-hydroxy-3-oxo-1-phenylbutyl]-4H-chromen-4-one

  • Molecular FormulaC19H16O5
  • Average mass324.327 Da
  • Monoisotopic mass324.099762 Da
  • ChemSpider ID35032776

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Hydroxy-3-[(1R)-2-hydroxy-3-oxo-1-phenylbutyl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-Hydroxy-3-[(1R)-2-hydroxy-3-oxo-1-phenylbutyl]-4H-chromen-4-one [ACD/IUPAC Name]
2-Hydroxy-3-[(1R)-2-hydroxy-3-oxo-1-phénylbutyl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-hydroxy-3-[(1R)-2-hydroxy-3-oxo-1-phenylbutyl]- [ACD/Index Name]
2-hydroxy-3-[(1R)-2-hydroxy-3-oxo-1-phenylbutyl]chromen-4-one
R-10-Hydroxywarfarin

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 509.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 185.0±23.6 °C
Index of Refraction: 1.657
Molar Refractivity: 85.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 3.06
ACD/KOC (pH 5.5): 39.19
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 233.6±3.0 cm3

Click to predict properties on the Chemicalize site


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