ChemSpider 2D Image | 3-({[4-(3-Chlorophenyl)tetrahydro-2H-pyran-4-yl]carbonyl}amino)-2-(tetrahydro-2H-pyran-4-yl)propanoic acid | C20H26ClNO5

3-({[4-(3-Chlorophenyl)tetrahydro-2H-pyran-4-yl]carbonyl}amino)-2-(tetrahydro-2H-pyran-4-yl)propanoic acid

  • Molecular FormulaC20H26ClNO5
  • Average mass395.877 Da
  • Monoisotopic mass395.149963 Da
  • ChemSpider ID58043018

More details:






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

2H-Pyran-4-acetic acid, α-[[[[4-(3-chlorophenyl)tetrahydro-2H-pyran-4-yl]carbonyl]amino]methyl]tetrahydro- [ACD/Index Name]
3-({[4-(3-Chlorophenyl)tetrahydro-2H-pyran-4-yl]carbonyl}amino)-2-(tetrahydro-2H-pyran-4-yl)propanoic acid [ACD/IUPAC Name]
3-({[4-(3-Chlorphenyl)tetrahydro-2H-pyran-4-yl]carbonyl}amino)-2-(tetrahydro-2H-pyran-4-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-({[4-(3-chlorophényl)tétrahydro-2H-pyran-4-yl]carbonyl}amino)-2-(tétrahydro-2H-pyran-4-yl)propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 343.9±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.85
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 311.3±3.0 cm3

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