ChemSpider 2D Image | (1R,2R)-2-Hydroxy-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2-phenylethyl acetate | C15H16O5

(1R,2R)-2-Hydroxy-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2-phenylethyl acetate

  • Molecular FormulaC15H16O5
  • Average mass276.284 Da
  • Monoisotopic mass276.099762 Da
  • ChemSpider ID113611197

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R)-2-Hydroxy-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2-phenylethyl acetate [ACD/IUPAC Name]
(1R,2R)-2-Hydroxy-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2-phenylethyl-acetat [German] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(1R,2R)-1-(acetyloxy)-2-hydroxy-2-phenylethyl]-5,6-dihydro-, (6S)- [ACD/Index Name]
Acétate de (1R,2R)-2-hydroxy-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2-phényléthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 396.7±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 144.4±13.1 °C
Index of Refraction: 1.561
Molar Refractivity: 70.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.31
ACD/KOC (pH 5.5): 171.92
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.31
ACD/KOC (pH 7.4): 171.92
Polar Surface Area: 73 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 218.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement