ChemSpider 2D Image | 2-Methyl-2-propanyl (4R)-4-[(4R,5S)-5-(ethoxycarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate | C18H31NO7

2-Methyl-2-propanyl (4R)-4-[(4R,5S)-5-(ethoxycarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

  • Molecular FormulaC18H31NO7
  • Average mass373.441 Da
  • Monoisotopic mass373.210052 Da
  • ChemSpider ID30658752

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R)-4-[(4R,5S)-5-(Éthoxycarbonyl)-2,2-diméthyl-1,3-dioxolan-4-yl]-2,2-diméthyl-1,3-oxazolidine-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (4R)-4-[(4R,5S)-5-(ethoxycarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4R)-4-[(4R,5S)-5-(ethoxycarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidin-3-carboxylat [German] [ACD/IUPAC Name]
3-Oxazolidinecarboxylic acid, 4-[(4R,5S)-5-(ethoxycarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R)- [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: 418.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 206.9±28.7 °C
Index of Refraction: 1.471
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.81
ACD/KOC (pH 5.5): 1011.83
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.81
ACD/KOC (pH 7.4): 1011.83
Polar Surface Area: 84 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 333.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement