ChemSpider 2D Image | (6E)-7-[4-(4-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridinyl]-1,6-heptadiene-1,1,3,5-tetrol | C26H34FNO5

(6E)-7-[4-(4-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridinyl]-1,6-heptadiene-1,1,3,5-tetrol

  • Molecular FormulaC26H34FNO5
  • Average mass459.550 Da
  • Monoisotopic mass459.242096 Da
  • ChemSpider ID95793088

More details:

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

(6E)-7-[4-(4-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridinyl]-1,6-heptadiene-1,1,3,5-tetrol [ACD/IUPAC Name]
(6E)-7-[4-(4-Fluorophényl)-2,6-diisopropyl-5-(méthoxyméthyl)-3-pyridinyl]-1,6-heptadiène-1,1,3,5-tétrol [French] [ACD/IUPAC Name]
(6E)-7-[4-(4-Fluorphenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridinyl]-1,6-heptadien-1,1,3,5-tetrol [German] [ACD/IUPAC Name]
1,6-Heptadiene-1,1,3,5-tetrol, 7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-, (6E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.6±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 119.27
ACD/KOC (pH 5.5): 844.92
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 265.12
ACD/KOC (pH 7.4): 1878.11
Polar Surface Area: 103 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 382.7±3.0 cm3

Click to predict properties on the Chemicalize site


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