ChemSpider 2D Image | (2R,3S)-5,7-Dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl acetate | C17H14O6

(2R,3S)-5,7-Dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl acetate

  • Molecular FormulaC17H14O6
  • Average mass314.289 Da
  • Monoisotopic mass314.079041 Da
  • ChemSpider ID113611638

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-5,7-Dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl acetate [ACD/IUPAC Name]
(2R,3S)-5,7-Dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl-acetat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2R,3S)- [ACD/Index Name]
Acétate de (2R,3S)-5,7-dihydroxy-4-oxo-2-phényl-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 547.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 205.1±23.6 °C
Index of Refraction: 1.661
Molar Refractivity: 79.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.06
ACD/KOC (pH 5.5): 1328.97
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 48.15
ACD/KOC (pH 7.4): 390.08
Polar Surface Area: 93 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 214.4±5.0 cm3

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