ChemSpider 2D Image | (1S)-1,4-Anhydro-1-(4-fluorophenyl)-D-ribitol | C11H13FO4

(1S)-1,4-Anhydro-1-(4-fluorophenyl)-D-ribitol

  • Molecular FormulaC11H13FO4
  • Average mass228.217 Da
  • Monoisotopic mass228.079788 Da
  • ChemSpider ID21107170

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-1,4-Anhydro-1-(4-fluorophenyl)-D-ribitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-(4-fluorophényl)-D-ribitol [French] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-(4-fluorphenyl)-D-ribitol [German] [ACD/IUPAC Name]
D-Ribitol, 1,4-anhydro-1-C-(4-fluorophenyl)-, (1S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 426.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 191.2±25.2 °C
Index of Refraction: 1.586
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 52.83
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.79
ACD/KOC (pH 7.4): 52.83
Polar Surface Area: 70 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 160.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement