ChemSpider 2D Image | O-HYDROXYATORVASTATIN LACTONE | C33H33FN2O5

O-HYDROXYATORVASTATIN LACTONE

  • Molecular FormulaC33H33FN2O5
  • Average mass556.624 Da
  • Monoisotopic mass556.237366 Da
  • ChemSpider ID8825792

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

163217-74-1 [RN]
1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-N-(2-hydroxyphenyl)-2-(1-methylethyl)-4-phenyl-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}-N-(2-hydroxyphenyl)-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxamide [ACD/IUPAC Name]
5-(4-Fluorophényl)-1-{2-[(2R,4R)-4-hydroxy-6-oxotétrahydro-2H-pyran-2-yl]éthyl}-N-(2-hydroxyphényl)-2-isopropyl-4-phényl-1H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]
5-(4-Fluorphenyl)-1-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-N-(2-hydroxyphenyl)-2-isopropyl-4-phenyl-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]
O-HYDROXYATORVASTATIN LACTONE
Ortho-Hydroxy Atorvastatin Lactone
265989-50-2 [RN]
2-Hydroxy Atorvastatin Lactone
2-HYDROXY ATORVASTATIN LACTONE-D5
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N8OH05250C [DBID]
UNII:N8OH05250C [DBID]
UNII-N8OH05250C [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 694.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.9±3.0 kJ/mol
    Flash Point: 373.9±31.5 °C
    Index of Refraction: 1.626
    Molar Refractivity: 153.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 4.21
    ACD/BCF (pH 5.5): 925.90
    ACD/KOC (pH 5.5): 4624.23
    ACD/LogD (pH 7.4): 4.20
    ACD/BCF (pH 7.4): 917.48
    ACD/KOC (pH 7.4): 4582.20
    Polar Surface Area: 101 Å2
    Polarizability: 60.7±0.5 10-24cm3
    Surface Tension: 47.4±7.0 dyne/cm
    Molar Volume: 432.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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