ChemSpider 2D Image | 6-[(1S,2S)-1,2-Dihydroxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one | C13H14O4

6-[(1S,2S)-1,2-Dihydroxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC13H14O4
  • Average mass234.248 Da
  • Monoisotopic mass234.089203 Da
  • ChemSpider ID74095334

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2H-Pyran-2-one, 6-[(1S,2S)-1,2-dihydroxy-2-phenylethyl]-5,6-dihydro- [ACD/Index Name]
6-[(1S,2S)-1,2-Dihydroxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-[(1S,2S)-1,2-Dihydroxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
6-[(1S,2S)-1,2-Dihydroxy-2-phényléthyl]-5,6-dihydro-2H-pyran-2-one [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: 488.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 192.1±20.8 °C
Index of Refraction: 1.598
Molar Refractivity: 61.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.02
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 41.75
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 41.75
Polar Surface Area: 67 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 179.4±3.0 cm3

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