ChemSpider 2D Image | Atorvastatin lactone | C33H33FN2O4

Atorvastatin lactone

  • Molecular FormulaC33H33FN2O4
  • Average mass540.625 Da
  • Monoisotopic mass540.242432 Da
  • ChemSpider ID11311568

More details:

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

1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]- [ACD/Index Name]
5-(4-Fluorophenyl)-1-[2-(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-(4-hydroxy-6-oxotétrahydro-2H-pyran-2-yl)éthyl]-2-isopropyl-N,4-diphényl-1H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]
5-(4-Fluorphenyl)-1-[2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-2-isopropyl-N,4-diphenyl-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]
Atorvastatin lactone
1217749-86-4 [RN]
125995-03-1 [RN]
5-(4-fluorophenyl)-1-[2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-N,4-diphenyl-2-(propan-2-yl)-1H-pyrrole-3-carboxamide
ATORVASTATIN-D5 LACTONE
MFCD00899262 [MDL number]

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

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

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