ChemSpider 2D Image | (4S)-3-{(2S,3S)-2-[(Dibenzylamino)methyl]-3-hydroxy-3-phenylpropanoyl}-4-isopropyl-5,5-dimethyl-1,3-oxazolidin-2-one | C32H38N2O4

(4S)-3-{(2S,3S)-2-[(Dibenzylamino)methyl]-3-hydroxy-3-phenylpropanoyl}-4-isopropyl-5,5-dimethyl-1,3-oxazolidin-2-one

  • Molecular FormulaC32H38N2O4
  • Average mass514.655 Da
  • Monoisotopic mass514.283142 Da
  • ChemSpider ID21188736

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-3-{(2S,3S)-2-[(Dibenzylamino)methyl]-3-hydroxy-3-phenylpropanoyl}-4-isopropyl-5,5-dimethyl-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-3-{(2S,3S)-2-[(Dibenzylamino)methyl]-3-hydroxy-3-phenylpropanoyl}-4-isopropyl-5,5-dimethyl-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-3-{(2S,3S)-2-[(Dibenzylamino)méthyl]-3-hydroxy-3-phénylpropanoyl}-4-isopropyl-5,5-diméthyl-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 3-[(2S,3S)-2-[[bis(phenylmethyl)amino]methyl]-3-hydroxy-1-oxo-3-phenylpropyl]-5,5-dimethyl-4-(1-methylethyl)-, (4S)- [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: 672.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.5±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 148.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 900.24
ACD/KOC (pH 5.5): 2153.48
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10627.30
ACD/KOC (pH 7.4): 25421.77
Polar Surface Area: 70 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 443.1±3.0 cm3

Click to predict properties on the Chemicalize site


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