ChemSpider 2D Image | (2S)-2-{1-[2-(Cyclopentylmethyl)pentanoyl]-4-piperidinyl}tetrahydro-3-furancarboxylic acid | C21H35NO4

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

  • Molecular FormulaC21H35NO4
  • Average mass365.507 Da
  • Monoisotopic mass365.256622 Da
  • ChemSpider ID58073763

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S)-2-{1-[2-(Cyclopentylmethyl)pentanoyl]-4-piperidinyl}tetrahydro-3-furancarbonsäure [German] [ACD/IUPAC Name]
(2S)-2-{1-[2-(Cyclopentylmethyl)pentanoyl]-4-piperidinyl}tetrahydro-3-furancarboxylic acid [ACD/IUPAC Name]
3-Furancarboxylic acid, 2-[1-[2-(cyclopentylmethyl)-1-oxopentyl]-4-piperidinyl]tetrahydro-, (2S)- [ACD/Index Name]
Acide (2S)-2-{1-[2-(cyclopentylméthyl)pentanoyl]-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: 1.1±0.1 g/cm3
Boiling Point: 550.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 286.4±30.1 °C
Index of Refraction: 1.524
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 29.90
ACD/KOC (pH 5.5): 175.03
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.88
Polar Surface Area: 67 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 325.6±3.0 cm3

Click to predict properties on the Chemicalize site


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