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

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

  • Molecular FormulaC20H26ClNO5
  • Average mass395.877 Da
  • Monoisotopic mass395.149963 Da
  • ChemSpider ID58073931

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S)-2-{1-[2-(2-Chlorophenoxy)butanoyl]-4-piperidinyl}tetrahydro-3-furancarboxylic acid [ACD/IUPAC Name]
(2S)-2-{1-[2-(2-Chlorphenoxy)butanoyl]-4-piperidinyl}tetrahydro-3-furancarbonsäure [German] [ACD/IUPAC Name]
3-Furancarboxylic acid, 2-[1-[2-(2-chlorophenoxy)-1-oxobutyl]-4-piperidinyl]tetrahydro-, (2S)- [ACD/Index Name]
Acide (2S)-2-{1-[2-(2-chlorophénoxy)butanoyl]-4-pipéridinyl}tétrahydro-3-furanecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 597.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.1±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 7.35
ACD/KOC (pH 5.5): 64.10
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 76 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 308.2±3.0 cm3

Click to predict properties on the Chemicalize site


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