ChemSpider 2D Image | (2R,3S)-2-(Hydroxymethyl)-5-oxotetrahydro-3-furanyl 4-ethylbenzoate | C14H16O5

(2R,3S)-2-(Hydroxymethyl)-5-oxotetrahydro-3-furanyl 4-ethylbenzoate

  • Molecular FormulaC14H16O5
  • Average mass264.274 Da
  • Monoisotopic mass264.099762 Da
  • ChemSpider ID23202326
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R,3S)-2-(Hydroxymethyl)-5-oxotetrahydro-3-furanyl 4-ethylbenzoate [ACD/IUPAC Name]
(2R,3S)-2-(Hydroxymethyl)-5-oxotetrahydro-3-furanyl-4-ethylbenzoat [German] [ACD/IUPAC Name]
(2R,3S)-2-(hydroxymethyl)-5-oxotetrahydrofuran-3-yl 4-ethylbenzoate (non-preferred name)
4-Éthylbenzoate de (2R,3S)-2-(hydroxyméthyl)-5-oxotétrahydro-3-furanyle [French] [ACD/IUPAC Name]
4-Ethyl-benzoic acid (2R,3S)-2-hydroxymethyl-5-oxo-tetrahydro-furan-3-yl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL334085/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 417.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 156.5±13.9 °C
Index of Refraction: 1.559
Molar Refractivity: 67.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.30
ACD/KOC (pH 5.5): 114.84
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.30
ACD/KOC (pH 7.4): 114.84
Polar Surface Area: 73 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 207.4±5.0 cm3

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