ChemSpider 2D Image | (2R,3R)-4-[(4S)-4-Isopropyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxo-2-butanyl 3,5-dinitrobenzoate | C18H21N3O9

(2R,3R)-4-[(4S)-4-Isopropyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxo-2-butanyl 3,5-dinitrobenzoate

  • Molecular FormulaC18H21N3O9
  • Average mass423.374 Da
  • Monoisotopic mass423.127777 Da
  • ChemSpider ID30991353

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R)-4-[(4S)-4-Isopropyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxo-2-butanyl 3,5-dinitrobenzoate [ACD/IUPAC Name]
(2R,3R)-4-[(4S)-4-Isopropyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxo-2-butanyl-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
2-Oxazolidinone, 3-[(2R,3R)-3-[(3,5-dinitrobenzoyl)oxy]-2-methyl-1-oxobutyl]-4-(1-methylethyl)-, (4S)- [ACD/Index Name]
3,5-Dinitrobenzoate de (2R,3R)-4-[(4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]-3-méthyl-4-oxo-2-butanyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 595.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.1±27.3 °C
Index of Refraction: 1.568
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.23
ACD/KOC (pH 5.5): 744.88
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.23
ACD/KOC (pH 7.4): 744.88
Polar Surface Area: 165 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 306.9±3.0 cm3

Click to predict properties on the Chemicalize site


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