ChemSpider 2D Image | (1S,4xi)-1,4-Anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-L-arabino-hexitol | C24H25FO5S

(1S,4ξ)-1,4-Anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-L-arabino-hexitol

  • Molecular FormulaC24H25FO5S
  • Average mass444.516 Da
  • Monoisotopic mass444.140686 Da
  • ChemSpider ID58791969

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,4ξ)-1,4-Anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-L-arabino-hexitol [ACD/IUPAC Name]
(1S,4ξ)-1,4-Anhydro-1-(3-{[5-(4-fluorophényl)-2-thiényl]méthyl}-4-méthylphényl)-L-arabino-hexitol [French] [ACD/IUPAC Name]
(1S,4ξ)-1,4-Anhydro-1-(3-{[5-(4-fluorphenyl)-2-thienyl]methyl}-4-methylphenyl)-L-arabino-hexitol [German] [ACD/IUPAC Name]
L-arabino-Heξtol, 1,4-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (1S,4ξ)- [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: 673.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 361.1±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 117.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.82
ACD/KOC (pH 5.5): 1396.61
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.82
ACD/KOC (pH 7.4): 1396.61
Polar Surface Area: 118 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 323.2±3.0 cm3

Click to predict properties on the Chemicalize site


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