ChemSpider 2D Image | (3R,5R)-7-{3-(4-Fluorophenyl)-5-[(4-hydroxyphenyl)carbamoyl]-1-isopropyl-4-phenyl-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid | C33H35FN2O6

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

  • Molecular FormulaC33H35FN2O6
  • Average mass574.639 Da
  • Monoisotopic mass574.247925 Da
  • ChemSpider ID25044087

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5R)-7-{3-(4-Fluorophenyl)-5-[(4-hydroxyphenyl)carbamoyl]-1-isopropyl-4-phenyl-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-{3-(4-Fluorphenyl)-5-[(4-hydroxyphenyl)carbamoyl]-1-isopropyl-4-phenyl-1H-pyrrol-2-yl}-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
1H-Pyrrole-2-heptanoic acid, 3-(4-fluorophenyl)-β,δ-dihydroxy-5-[[(4-hydroxyphenyl)amino]carbonyl]-1-(1-methylethyl)-4-phenyl-, (βR,δR)- [ACD/Index Name]
Acide (3R,5R)-7-{3-(4-fluorophényl)-5-[(4-hydroxyphényl)carbamoyl]-1-isopropyl-4-phényl-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 756.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 411.0±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 156.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 18.94
ACD/KOC (pH 5.5): 120.90
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.03
Polar Surface Area: 132 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 449.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement