ChemSpider 2D Image | Fexofenadine Related Compound B | C32H39NO4

Fexofenadine Related Compound B

  • Molecular FormulaC32H39NO4
  • Average mass501.656 Da
  • Monoisotopic mass501.287903 Da
  • ChemSpider ID48063065

More details:

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

2-(3-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid
2-[3-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid [ACD/IUPAC Name]
2-[3-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropansäure [German] [ACD/IUPAC Name]
479035-75-1 [RN]
Acide 2-[3-(1-hydroxy-4-{4-[hydroxy(diphényl)méthyl]-1-pipéridinyl}butyl)phényl]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-α,α-dimethyl- [ACD/Index Name]
Fexofenadine Related Compound B
2-(3-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid
2-[3-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butyl)phenyl]-2-methylpropanoic acid
2-[3-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 683.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.3±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 9.92
ACD/KOC (pH 5.5): 34.55
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 10.32
ACD/KOC (pH 7.4): 35.97
Polar Surface Area: 81 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 428.1±3.0 cm3

Click to predict properties on the Chemicalize site


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