ChemSpider 2D Image | N-{(2S)-2-Benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]propanoyl}glycine | C25H32N2O4

N-{(2S)-2-Benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]propanoyl}glycine

  • Molecular FormulaC25H32N2O4
  • Average mass424.533 Da
  • Monoisotopic mass424.236206 Da
  • ChemSpider ID107446561

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Glycine, N-[(2S)-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-oxo-2-(phenylmethyl)propyl]- [ACD/Index Name]
N-{(2S)-2-Benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]propanoyl}glycin [German] [ACD/IUPAC Name]
N-{(2S)-2-Benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]propanoyl}glycine [ACD/IUPAC Name]
N-{(2S)-2-Benzyl-3-[(3S,4S)-4-(3-hydroxyphényl)-3,4-diméthyl-1-pipéridinyl]propanoyl}glycine [French] [ACD/IUPAC Name]
2280857-23-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 684.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.5±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.04
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.98
Polar Surface Area: 90 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 363.8±3.0 cm3

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