ChemSpider 2D Image | (5-Ethyl-2,4,6-trioxo-5-phenyldihydropyrimidine-1,3(2H,4H)-diyl)bis(2R)-3-butoxy-1,2-propanediyl dicarbamate | C28H42N4O9

(5-Ethyl-2,4,6-trioxo-5-phenyldihydropyrimidine-1,3(2H,4H)-diyl)bis(2R)-3-butoxy-1,2-propanediyl dicarbamate

  • Molecular FormulaC28H42N4O9
  • Average mass578.654 Da
  • Monoisotopic mass578.295166 Da
  • ChemSpider ID34987180

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5-Ethyl-2,4,6-trioxo-5-phenyldihydropyrimidin-1,3(2H,4H)-diyl)bis(2R)-3-butoxy-1,2-propandiyldicarbamat [German] [ACD/IUPAC Name]
(5-Ethyl-2,4,6-trioxo-5-phenyldihydropyrimidine-1,3(2H,4H)-diyl)bis(2R)-3-butoxy-1,2-propanediyl dicarbamate [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis[(2R)-2-[(aminocarbonyl)oxy]-3-butoxypropyl]-5-ethyl-5-phenyl- [ACD/Index Name]
Dicarbamate de (5-éthyl-2,4,6-trioxo-5-phényldihydropyrimidine-1,3(2H,4H)-diyl)bis(2R)-3-butoxy-1,2-propanediyle [French] [ACD/IUPAC Name]
15687-09-9 [RN]
239-778-3 [EINECS]
difebarbamate [INN]
UNII-7EE4K616KK

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

Density: 1.2±0.1 g/cm3
Boiling Point: 739.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.9±35.7 °C
Index of Refraction: 1.529
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 105.69
ACD/KOC (pH 5.5): 978.15
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 105.69
ACD/KOC (pH 7.4): 978.14
Polar Surface Area: 181 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 479.3±3.0 cm3

Click to predict properties on the Chemicalize site


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