ChemSpider 2D Image | (5S)-3-Acetyl-5-[(2S)-(~2~H_9_)-2-butanyl]-4-hydroxy(5-~2~H)-1,5-dihydro-2H-pyrrol-2-one | C10H5D10NO3

(5S)-3-Acetyl-5-[(2S)-(2H9)-2-butanyl]-4-hydroxy(5-2H)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC10H5D10NO3
  • Average mass207.293 Da
  • Monoisotopic mass207.167953 Da
  • ChemSpider ID111312039

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5S)-3-Acetyl-5-[(2S)-(2H9)-2-butanyl]-4-hydroxy(5-2H)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
(5S)-3-Acetyl-5-[(2S)-(2H9)-2-butanyl]-4-hydroxy(5-2H)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
(5S)-3-Acétyl-5-[(2S)-(2H9)-2-butanyl]-4-hydroxy(5-2H)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one-5-d, 3-acetyl-1,5-dihydro-4-hydroxy-5-[(1S)-1-(methyl-d3)propyl-1,2,2,3,3,3-d6]-, (5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 401.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.4±6.0 kJ/mol
Flash Point: 196.4±28.7 °C
Index of Refraction: 1.519
Molar Refractivity: 50.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 167.4±3.0 cm3

Click to predict properties on the Chemicalize site


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