ChemSpider 2D Image | (2R,3S)-2-{[(4-Methylbenzoyl)oxy](~2~H_2_)methyl}-5-oxo(~2~H_4_)tetrahydro-3-furanyl 4-methylbenzoate | C21H14D6O6

(2R,3S)-2-{[(4-Methylbenzoyl)oxy](2H2)methyl}-5-oxo(2H4)tetrahydro-3-furanyl 4-methylbenzoate

  • Molecular FormulaC21H14D6O6
  • Average mass374.417 Da
  • Monoisotopic mass374.163635 Da
  • ChemSpider ID8175055

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3S)-2-{[(4-Methylbenzoyl)oxy](2H2)methyl}-5-oxo(2H4)tetrahydro-3-furanyl 4-methylbenzoate [ACD/IUPAC Name]
(2R,3S)-2-{[(4-Methylbenzoyl)oxy](2H2)methyl}-5-oxo(2H4)tetrahydro-3-furanyl-4-methylbenzoat [German] [ACD/IUPAC Name]
4-Méthylbenzoate de (2R,3S)-2-{[(4-méthylbenzoyl)oxy](2H2)méthyl}-5-oxo(2H4)tétrahydro-3-furanyle [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: 511.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 224.0±24.6 °C
Index of Refraction: 1.586
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 487.49
ACD/KOC (pH 5.5): 2921.81
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 487.49
ACD/KOC (pH 7.4): 2921.81
Polar Surface Area: 79 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 287.9±5.0 cm3

Click to predict properties on the Chemicalize site


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