ChemSpider 2D Image | (5-Chloro-2-furyl)[(3R,4R)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinyl]methanone | C16H22ClNO4

(5-Chloro-2-furyl)[(3R,4R)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinyl]methanone

  • Molecular FormulaC16H22ClNO4
  • Average mass327.803 Da
  • Monoisotopic mass327.123749 Da
  • ChemSpider ID29652428

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5-Chlor-2-furyl)[(3R,4R)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
(5-Chloro-2-furyl)[(3R,4R)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinyl]methanone [ACD/IUPAC Name]
(5-Chloro-2-furyl)[(3R,4R)-4-hydroxy-3-méthyl-4-(tétrahydro-2H-pyran-4-yl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (5-chloro-2-furanyl)[(3R,4R)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinyl]- [ACD/Index Name]
(3R*,4R*)-1-(5-chloro-2-furoyl)-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 478.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 243.0±28.7 °C
Index of Refraction: 1.557
Molar Refractivity: 82.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.28
ACD/KOC (pH 5.5): 351.30
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.28
ACD/KOC (pH 7.4): 351.30
Polar Surface Area: 63 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 255.8±3.0 cm3

Click to predict properties on the Chemicalize site


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