ChemSpider 2D Image | 2-(4-{1-Hydroxy-4-[4-(hydroxy{bis[(~2~H_5_)phenyl]}methyl)-1-piperidinyl]butyl}phenyl)-2-methylpropanoic acid | C32H29D10NO4

2-(4-{1-Hydroxy-4-[4-(hydroxy{bis[(2H5)phenyl]}methyl)-1-piperidinyl]butyl}phenyl)-2-methylpropanoic acid

  • Molecular FormulaC32H29D10NO4
  • Average mass511.718 Da
  • Monoisotopic mass511.350677 Da
  • ChemSpider ID110404831

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(4-{1-Hydroxy-4-[4-(hydroxy{bis[(2H5)phenyl]}methyl)-1-piperidinyl]butyl}phenyl)-2-methylpropanoic acid [ACD/IUPAC Name]
2-(4-{1-Hydroxy-4-[4-(hydroxy{bis[(2H5)phenyl]}methyl)-1-piperidinyl]butyl}phenyl)-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 2-(4-{1-hydroxy-4-[4-(hydroxy{bis[(2H5)phényl]}méthyl)-1-pipéridinyl]butyl}phényl)-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[1-hydroxy-4-[4-(hydroxydiphenyl-d5-methyl)-1-piperidinyl]butyl]-α,α-dimethyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 697.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.5±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): 9.83
ACD/KOC (pH 5.5): 34.25
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 10.33
ACD/KOC (pH 7.4): 35.99
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

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