ChemSpider 2D Image | (3R,5R)-7-[5-(4-Fluorophenyl)-3-isopropyl-2-oxo-4-phenyl-3-(phenylcarbamoyl)-2,3-dihydro-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid | C33H35FN2O6

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

  • Molecular FormulaC33H35FN2O6
  • Average mass574.639 Da
  • Monoisotopic mass574.247925 Da
  • ChemSpider ID114392766

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3R,5R)-7-[5-(4-Fluorophenyl)-3-isopropyl-2-oxo-4-phenyl-3-(phenylcarbamoyl)-2,3-dihydro-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-[5-(4-Fluorphenyl)-3-isopropyl-2-oxo-4-phenyl-3-(phenylcarbamoyl)-2,3-dihydro-1H-pyrrol-1-yl]-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
1H-Pyrrole-1-heptanoic acid, 5-(4-fluorophenyl)-2,3-dihydro-β,δ-dihydroxy-3-(1-methylethyl)-2-oxo-4-phenyl-3-[(phenylamino)carbonyl]-, (βR,δR)- [ACD/Index Name]
Acide (3R,5R)-7-[5-(4-fluorophényl)-3-isopropyl-2-oxo-4-phényl-3-(phénylcarbamoyl)-2,3-dihydro-1H-pyrrol-1-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: 864.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 476.8±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 155.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 41.48
ACD/KOC (pH 5.5): 211.13
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.56
Polar Surface Area: 127 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 437.8±3.0 cm3

Click to predict properties on the Chemicalize site


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