ChemSpider 2D Image | (2S)-2-{1-[2-(3-Chlorophenoxy)-2-methylpropanoyl]-4-piperidinyl}tetrahydro-3-furancarboxylic acid | C20H26ClNO5

(2S)-2-{1-[2-(3-Chlorophenoxy)-2-methylpropanoyl]-4-piperidinyl}tetrahydro-3-furancarboxylic acid

  • Molecular FormulaC20H26ClNO5
  • Average mass395.877 Da
  • Monoisotopic mass395.149963 Da
  • ChemSpider ID58073740
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(2S)-2-{1-[2-(3-Chlorophenoxy)-2-methylpropanoyl]-4-piperidinyl}tetrahydro-3-furancarboxylic acid [ACD/IUPAC Name]
(2S)-2-{1-[2-(3-Chlorphenoxy)-2-methylpropanoyl]-4-piperidinyl}tetrahydro-3-furancarbonsäure [German] [ACD/IUPAC Name]
3-Furancarboxylic acid, 2-[1-[2-(3-chlorophenoxy)-2-methyl-1-oxopropyl]-4-piperidinyl]tetrahydro-, (2S)- [ACD/Index Name]
Acide (2S)-2-{1-[2-(3-chlorophénoxy)-2-méthylpropanoyl]-4-pipéridinyl}tétrahydro-3-furanecarboxylique [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: 592.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 312.2±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 5.36
ACD/KOC (pH 5.5): 51.16
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 307.8±3.0 cm3

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