ChemSpider 2D Image | 2-{4-[(1S)-1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl]phenyl}-2-(~2~H_3_)methyl(~2~H_3_)propanoic acid | C32H33D6NO4

2-{4-[(1S)-1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl]phenyl}-2-(2H3)methyl(2H3)propanoic acid

  • Molecular FormulaC32H33D6NO4
  • Average mass507.693 Da
  • Monoisotopic mass507.325562 Da
  • ChemSpider ID68896141
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

2-{4-[(1S)-1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl]phenyl}-2-(2H3)methyl(2H3)propanoic acid [ACD/IUPAC Name]
2-{4-[(1S)-1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl]phenyl}-2-(2H3)methyl(2H3)propansäure [German] [ACD/IUPAC Name]
Acide 2-{4-[(1S)-1-hydroxy-4-{4-[hydroxy(diphényl)méthyl]-1-pipéridinyl}butyl]phényl}-2-(2H3)méthyl(2H3)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[(1S)-1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-α,α-di(methyl-d3)- [ACD/Index Name]

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

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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