ChemSpider 2D Image | Methyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-diisopropyl-3-pyridinyl]-3,5-dihydroxy-6-heptenoate | C26H34FNO5

Methyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-diisopropyl-3-pyridinyl]-3,5-dihydroxy-6-heptenoate

  • Molecular FormulaC26H34FNO5
  • Average mass459.550 Da
  • Monoisotopic mass459.242096 Da
  • ChemSpider ID60499059

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S,6E)-7-[4-(4-Fluorophényl)-5-(hydroxyméthyl)-2,6-diisopropyl-3-pyridinyl]-3,5-dihydroxy-6-hepténoate de méthyle [French] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, methyl ester, (3R,5S,6E)- [ACD/Index Name]
Methyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-diisopropyl-3-pyridinyl]-3,5-dihydroxy-6-heptenoate [ACD/IUPAC Name]
Methyl-(3R,5S,6E)-7-[4-(4-fluorphenyl)-5-(hydroxymethyl)-2,6-diisopropyl-3-pyridinyl]-3,5-dihydroxy-6-heptenoat [German] [ACD/IUPAC 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: 644.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.5±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 127.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 83.59
ACD/KOC (pH 5.5): 641.31
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 200.84
ACD/KOC (pH 7.4): 1540.83
Polar Surface Area: 100 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 388.9±3.0 cm3

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