ChemSpider 2D Image | 2,6-Dihydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-4H-chromen-4-one | C19H16O5

2,6-Dihydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-4H-chromen-4-one

  • Molecular FormulaC19H16O5
  • Average mass324.327 Da
  • Monoisotopic mass324.099762 Da
  • ChemSpider ID30776721

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,6-Dihydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
2,6-Dihydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-4H-chromen-4-one [ACD/IUPAC Name]
2,6-Dihydroxy-3-[(1R)-3-oxo-1-phénylbutyl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,6-dihydroxy-3-[(1R)-3-oxo-1-phenylbutyl]- [ACD/Index Name]
2,6-dihydroxy-3-[(1R)-3-oxo-1-phenylbutyl]chromen-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3350277/
R-6-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: 540.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 197.7±23.6 °C
Index of Refraction: 1.659
Molar Refractivity: 86.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 3.11
ACD/KOC (pH 5.5): 38.79
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 234.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement