ChemSpider 2D Image | (3R)-7-{2-(4-Fluorophenyl)-4-[hydroxy(phenylimino)methyl]-5-isopropyl-3-phenyl-1H-pyrrol-1-yl}-3-hydroxy-5-oxoheptanoic acid | C33H33FN2O5

(3R)-7-{2-(4-Fluorophenyl)-4-[hydroxy(phenylimino)methyl]-5-isopropyl-3-phenyl-1H-pyrrol-1-yl}-3-hydroxy-5-oxoheptanoic acid

  • Molecular FormulaC33H33FN2O5
  • Average mass556.624 Da
  • Monoisotopic mass556.237366 Da
  • ChemSpider ID57316528

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-7-{2-(4-Fluorophenyl)-4-[hydroxy(phenylimino)methyl]-5-isopropyl-3-phenyl-1H-pyrrol-1-yl}-3-hydroxy-5-oxoheptanoic acid [ACD/IUPAC Name]
(3R)-7-{2-(4-Fluorphenyl)-4-[hydroxy(phenylimino)methyl]-5-isopropyl-3-phenyl-1H-pyrrol-1-yl}-3-hydroxy-5-oxoheptansäure [German] [ACD/IUPAC Name]
1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β-hydroxy-4-[hydroxy(phenylimino)methyl]-5-(1-methylethyl)-δ-oxo-3-phenyl-, (βR)- [ACD/Index Name]
Acide (3R)-7-{2-(4-fluorophényl)-4-[hydroxy(phénylimino)méthyl]-5-isopropyl-3-phényl-1H-pyrrol-1-yl}-3-hydroxy-5-oxoheptanoïque [French] [ACD/IUPAC Name]
(R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3-hydroxy-5-oxoheptanoic acid
1391052-82-6 [RN]
5-oxo atorvastatin
ATORVASTATIN-5-OXO ACID
MFCD29045121

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 768.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 117.3±3.0 kJ/mol
    Flash Point: 418.2±35.7 °C
    Index of Refraction: 1.603
    Molar Refractivity: 155.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 5.32
    ACD/LogD (pH 5.5): 1.85
    ACD/BCF (pH 5.5): 3.04
    ACD/KOC (pH 5.5): 11.62
    ACD/LogD (pH 7.4): 0.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 112 Å2
    Polarizability: 61.5±0.5 10-24cm3
    Surface Tension: 46.0±7.0 dyne/cm
    Molar Volume: 451.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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