ChemSpider 2D Image | 3-[(3R,4R)-4-(3-Hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-2-[(~2~H_5_)phenylmethyl]propanoic acid | C23H24D5NO3

3-[(3R,4R)-4-(3-Hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-2-[(2H5)phenylmethyl]propanoic acid

  • Molecular FormulaC23H24D5NO3
  • Average mass372.512 Da
  • Monoisotopic mass372.246124 Da
  • ChemSpider ID107449416

  • defined stereocentres - 2 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-Piperidinepropanoic acid, 4-(3-hydroxyphenyl)-3,4-dimethyl-α-(phenyl-d5-methyl)-, (3R,4R)- [ACD/Index Name]
3-[(3R,4R)-4-(3-Hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-2-[(2H5)phenylmethyl]propanoic acid [ACD/IUPAC Name]
3-[(3R,4R)-4-(3-Hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-2-[(2H5)phenylmethyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(3R,4R)-4-(3-hydroxyphényl)-3,4-diméthyl-1-pipéridinyl]-2-[(2H5)phénylméthyl]propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 552.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 288.0±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 106.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 2.25
ACD/KOC (pH 5.5): 12.10
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 12.03
Polar Surface Area: 61 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 324.8±3.0 cm3

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