ChemSpider 2D Image | 1-O-({3-Phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}amino)-alpha-D-glucopyranuronic acid | C22H24F3NO8

1-O-({3-Phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}amino)-α-D-glucopyranuronic acid

  • Molecular FormulaC22H24F3NO8
  • Average mass487.423 Da
  • Monoisotopic mass487.145386 Da
  • ChemSpider ID35031863

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

1-O-({3-Phenyl-3-[4-(trifluormethyl)phenoxy]propyl}amino)-α-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
1-O-({3-Phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}amino)-α-D-glucopyranuronic acid [ACD/IUPAC Name]
Acide 1-O-({3-phényl-3-[4-(trifluorométhyl)phénoxy]propyl}amino)-α-D-glucopyranuronique [French] [ACD/IUPAC Name]
α-D-Glucopyranuronic acid, 1-O-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]- [ACD/Index Name]
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[({3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}amino)oxy]oxane-2-carboxylic acid
Norfluoxetine glucuronide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 676.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 362.7±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.33
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 325.0±5.0 cm3

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