ChemSpider 2D Image | Atorvastatin lactone | C33H33FN2O4

Atorvastatin lactone

  • Molecular FormulaC33H33FN2O4
  • Average mass540.625 Da
  • Monoisotopic mass540.242432 Da
  • ChemSpider ID4983494

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

125995-03-1 [RN]
1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]- [ACD/Index Name]
5-(4-fluorophenyl)-1-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide
5-(4-Fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-di(phenyl)-2-propan-2-ylpyrrole-3-carboxamide
5-(4-Fluorophenyl)-1-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide [ACD/IUPAC Name]
5-(4-Fluorophényl)-1-{2-[(2R,4R)-4-hydroxy-6-oxotétrahydro-2H-pyran-2-yl]éthyl}-2-isopropyl-N,4-diphényl-1H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]
5-(4-Fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1H-pyrrole-3-carboxamide
5-(4-Fluorphenyl)-1-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-2-isopropyl-N,4-diphenyl-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]
Atorvastatin lactone
(4R,6R)-6-[2-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]ethyl]-4-hydroxytetrahydro-2H-pyran-2-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7876IL7J2N [DBID]
AIDS342648 [DBID]
AIDS-342648 [DBID]
UNII:7876IL7J2N [DBID]
UNII-7876IL7J2N [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 674.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.1±3.0 kJ/mol
    Flash Point: 361.9±31.5 °C
    Index of Refraction: 1.617
    Molar Refractivity: 152.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 4.43
    ACD/BCF (pH 5.5): 1380.49
    ACD/KOC (pH 5.5): 6155.06
    ACD/LogD (pH 7.4): 4.43
    ACD/BCF (pH 7.4): 1380.49
    ACD/KOC (pH 7.4): 6155.10
    Polar Surface Area: 81 Å2
    Polarizability: 60.4±0.5 10-24cm3
    Surface Tension: 45.3±7.0 dyne/cm
    Molar Volume: 435.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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