ChemSpider 2D Image | (3R,5R)-7-[4-(4-Fluorophenyl)-2-isopropyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoic acid | C26H30FNO4

(3R,5R)-7-[4-(4-Fluorophenyl)-2-isopropyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoic acid

  • Molecular FormulaC26H30FNO4
  • Average mass439.519 Da
  • Monoisotopic mass439.215881 Da
  • ChemSpider ID25049983
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,5R)-7-[4-(4-Fluorophenyl)-2-isopropyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-[4-(4-Fluorphenyl)-2-isopropyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
1H-Pyrrole-3-heptanoic acid, 4-(4-fluorophenyl)-β,δ-dihydroxy-2-(1-methylethyl)-1-phenyl-, (βR,δR)- [ACD/Index Name]
Acide (3R,5R)-7-[4-(4-fluorophényl)-2-isopropyl-1-phényl-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoïque [French] [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: 661.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.6±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 121.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 40.61
ACD/KOC (pH 5.5): 208.77
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.52
Polar Surface Area: 83 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 366.3±7.0 cm3

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