ChemSpider 2D Image | (2S)-2,4-Dibenzyl-5-oxo-2,5-dihydro-3-furanyl trifluoromethanesulfonate | C19H15F3O5S

(2S)-2,4-Dibenzyl-5-oxo-2,5-dihydro-3-furanyl trifluoromethanesulfonate

  • Molecular FormulaC19H15F3O5S
  • Average mass412.380 Da
  • Monoisotopic mass412.059235 Da
  • ChemSpider ID30658979

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2,4-Dibenzyl-5-oxo-2,5-dihydro-3-furanyl trifluoromethanesulfonate [ACD/IUPAC Name]
(2S)-2,4-Dibenzyl-5-oxo-2,5-dihydro-3-furanyl-trifluormethansulfonat [German] [ACD/IUPAC Name]
Methanesulfonic acid, 1,1,1-trifluoro-, (2S)-2,5-dihydro-5-oxo-2,4-bis(phenylmethyl)-3-furanyl ester [ACD/Index Name]
Trifluorométhanesulfonate de (2S)-2,4-dibenzyl-5-oxo-2,5-dihydro-3-furanyle [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: 528.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.2±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 4004.33
ACD/KOC (pH 5.5): 13191.21
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 4004.33
ACD/KOC (pH 7.4): 13191.21
Polar Surface Area: 78 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 283.5±5.0 cm3

Click to predict properties on the Chemicalize site


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