ChemSpider 2D Image | Tipranavir | C31H33F3N2O5S

Tipranavir

  • Molecular FormulaC31H33F3N2O5S
  • Average mass602.664 Da
  • Monoisotopic mass602.206238 Da
  • ChemSpider ID58539
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

174484-41-4 [RN]
2-Pyridinesulfonamide, N-[3-[(1R)-1-[(2R)-3,4-dihydro-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-2H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)- [ACD/Index Name]
N-(3-{(1R)-1-[(2R)-6-Hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl}phenyl)-5-(trifluormethyl)-2-pyridinsulfonamid [German] [ACD/IUPAC Name]
N-(3-{(1R)-1-[(2R)-6-Hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl}phenyl)-5-(trifluoromethyl)-2-pyridinesulfonamide [ACD/IUPAC Name]
N-(3-{(1R)-1-[(2R)-6-Hydroxy-4-oxo-2-(2-phényléthyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl}phényl)-5-(trifluorométhyl)-2-pyridinesulfonamide [French] [ACD/IUPAC Name]
N-(3-{(1R)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
aptivus [Trade name]
TPV
2-Pyridinesulfonamide, N-(3-((1R)-1-((6R)-5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS032941 [DBID]
AIDS-032941 [DBID]
PNU 140690 [DBID]
PNU-140690 [DBID]
U 140690 [DBID]
U-140690 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 680.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 365.1±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 3444.99
ACD/KOC (pH 5.5): 5483.84
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 4.84
ACD/KOC (pH 7.4): 7.71
Polar Surface Area: 114 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 459.0±3.0 cm3

Click to predict properties on the Chemicalize site





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