ChemSpider 2D Image | (5xi)-2,4-Dideoxy-6-O-{2-[1-(4-fluorophenyl)ethyl]-4,6-dimethylphenyl}-D-glycero-hexonic acid | C22H27FO5

(5ξ)-2,4-Dideoxy-6-O-{2-[1-(4-fluorophenyl)ethyl]-4,6-dimethylphenyl}-D-glycero-hexonic acid

  • Molecular FormulaC22H27FO5
  • Average mass390.445 Da
  • Monoisotopic mass390.184265 Da
  • ChemSpider ID25063571

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(5ξ)-2,4-Dideoxy-6-O-{2-[1-(4-fluorophenyl)ethyl]-4,6-dimethylphenyl}-D-glycero-hexonic acid [ACD/IUPAC Name]
(5ξ)-2,4-Didesoxy-6-O-{2-[1-(4-fluorphenyl)ethyl]-4,6-dimethylphenyl}-D-glycero-hexonsäure [German] [ACD/IUPAC Name]
Acide (5ξ)-2,4-didésoxy-6-O-{2-[1-(4-fluorophényl)éthyl]-4,6-diméthylphényl}-D-glycéro-hexonique [French] [ACD/IUPAC Name]
D-glycero-Hexonic acid, 2,4-dideoxy-6-O-[2-[1-(4-fluorophenyl)ethyl]-4,6-dimethylphenyl]-, (5ξ)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1205460/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 322.2±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 5.72
ACD/KOC (pH 5.5): 50.30
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 319.8±3.0 cm3

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