ChemSpider 2D Image | (4S)-4-Isopropyl-3-[(2S)-2-(~2~H_3_)methylbutanoyl]-1,3-oxazolidin-2-one | C11H16D3NO3

(4S)-4-Isopropyl-3-[(2S)-2-(2H3)methylbutanoyl]-1,3-oxazolidin-2-one

  • Molecular FormulaC11H16D3NO3
  • Average mass216.292 Da
  • Monoisotopic mass216.155319 Da
  • ChemSpider ID48060671

  • 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-Isopropyl-3-[(2S)-2-(2H3)methylbutanoyl]-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-4-Isopropyl-3-[(2S)-2-(2H3)methylbutanoyl]-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-4-Isopropyl-3-[(2S)-2-(2H3)méthylbutanoyl]-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 4-(1-methylethyl)-3-[(2S)-2-(methyl-d3)-1-oxobutyl]-, (4S)- [ACD/Index Name]
175695-44-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 323.4±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 149.4±19.3 °C
Index of Refraction: 1.471
Molar Refractivity: 56.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.61
ACD/KOC (pH 5.5): 213.51
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.61
ACD/KOC (pH 7.4): 213.51
Polar Surface Area: 47 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 200.6±3.0 cm3

Click to predict properties on the Chemicalize site


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