ChemSpider 2D Image | (2S,3S,3aR,7aS)-3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-5H-furo[3,2-b]pyran-5-one | C13H12O4

(2S,3S,3aR,7aS)-3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-5H-furo[3,2-b]pyran-5-one

  • Molecular FormulaC13H12O4
  • Average mass232.232 Da
  • Monoisotopic mass232.073563 Da
  • ChemSpider ID62302726

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,3aR,7aS)-3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-5H-furo[3,2-b]pyran-5-on [German] [ACD/IUPAC Name]
(2S,3S,3aR,7aS)-3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-5H-furo[3,2-b]pyran-5-one [ACD/IUPAC Name]
(2S,3S,3aR,7aS)-3-Hydroxy-2-phényl-2,3,3a,7a-tétrahydro-5H-furo[3,2-b]pyran-5-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: 490.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 196.1±22.2 °C
Index of Refraction: 1.598
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.78
ACD/KOC (pH 5.5): 106.64
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.78
ACD/KOC (pH 7.4): 106.64
Polar Surface Area: 56 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 173.7±3.0 cm3

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