ChemSpider 2D Image | (4S)-4-Benzyl-3-[(2R)-2-(~2~H_3_)methylhexanoyl]-1,3-oxazolidin-2-one | C17H20D3NO3

(4S)-4-Benzyl-3-[(2R)-2-(2H3)methylhexanoyl]-1,3-oxazolidin-2-one

  • Molecular FormulaC17H20D3NO3
  • Average mass292.388 Da
  • Monoisotopic mass292.186615 Da
  • ChemSpider ID76920217

  • 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

(4S)-4-Benzyl-3-[(2R)-2-(2H3)methylhexanoyl]-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-4-Benzyl-3-[(2R)-2-(2H3)methylhexanoyl]-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-4-Benzyl-3-[(2R)-2-(2H3)méthylhexanoyl]-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 3-[(2R)-2-(methyl-d3)-1-oxohexyl]-4-(phenylmethyl)-, (4S)- [ACD/Index 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: 436.6±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 217.8±20.1 °C
Index of Refraction: 1.533
Molar Refractivity: 80.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 259.19
ACD/KOC (pH 5.5): 1858.96
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 259.19
ACD/KOC (pH 7.4): 1858.96
Polar Surface Area: 47 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 259.8±3.0 cm3

Click to predict properties on the Chemicalize site


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