ChemSpider 2D Image | (3R,5R)-7-{1-(4-Fluorophenyl)-3-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-isopropyl-1H-pyrazol-5-yl}-3,5-dihydroxyheptanoic acid | C28H34FN3O6

(3R,5R)-7-{1-(4-Fluorophenyl)-3-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-isopropyl-1H-pyrazol-5-yl}-3,5-dihydroxyheptanoic acid

  • Molecular FormulaC28H34FN3O6
  • Average mass527.584 Da
  • Monoisotopic mass527.243164 Da
  • ChemSpider ID9737528

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 756.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.5±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 138.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 15.92
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 402.2±7.0 cm3

Click to predict properties on the Chemicalize site


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