ChemSpider 2D Image | Ethyl (6R)-3,6-di[(2S)-2-butanyl]-5-hydroxy-4-oxo-5,6-dihydro-4H-1,2,5-oxadiazine-6-carboxylate | C14H24N2O5

Ethyl (6R)-3,6-di[(2S)-2-butanyl]-5-hydroxy-4-oxo-5,6-dihydro-4H-1,2,5-oxadiazine-6-carboxylate

  • Molecular FormulaC14H24N2O5
  • Average mass300.351 Da
  • Monoisotopic mass300.168518 Da
  • ChemSpider ID78439506

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6R)-3,6-Di[(2S)-2-butanyl]-5-hydroxy-4-oxo-5,6-dihydro-4H-1,2,5-oxadiazine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4H-1,2,5-Oxadiazine-6-carboxylic acid, 5,6-dihydro-5-hydroxy-3,6-bis[(1S)-1-methylpropyl]-4-oxo-, ethyl ester, (6R)- [ACD/Index Name]
Ethyl (6R)-3,6-di[(2S)-2-butanyl]-5-hydroxy-4-oxo-5,6-dihydro-4H-1,2,5-oxadiazine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(6R)-3,6-di[(2S)-2-butanyl]-5-hydroxy-4-oxo-5,6-dihydro-4H-1,2,5-oxadiazin-6-carboxylat [German] [ACD/IUPAC Name]
Conflamide E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 375.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.0±6.0 kJ/mol
Flash Point: 180.6±30.7 °C
Index of Refraction: 1.522
Molar Refractivity: 76.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.26
ACD/KOC (pH 5.5): 441.62
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 9.81
ACD/KOC (pH 7.4): 122.92
Polar Surface Area: 88 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 250.9±7.0 cm3

Click to predict properties on the Chemicalize site


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