ChemSpider 2D Image | Ethyl (2S,6S)-2-ethyl-5-methyl-3-oxo-6-phenyl-4-({[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}oxy)-1,2,3,6-tetrahydro-2-pyridinecarboxylate | C27H33NO7

Ethyl (2S,6S)-2-ethyl-5-methyl-3-oxo-6-phenyl-4-({[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}oxy)-1,2,3,6-tetrahydro-2-pyridinecarboxylate

  • Molecular FormulaC27H33NO7
  • Average mass483.553 Da
  • Monoisotopic mass483.225708 Da
  • ChemSpider ID30653210

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,6S)-2-Éthyl-5-méthyl-3-oxo-6-phényl-4-({[(1S,4R)-4,7,7-triméthyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}oxy)-1,2,3,6-tétrahydro-2-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
2-Pyridinecarboxylic acid, 2-ethyl-1,2,3,6-tetrahydro-5-methyl-3-oxo-6-phenyl-4-[[[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl]oxy]-, ethyl ester, (2S,6S)- [ACD/Index Name]
Ethyl (2S,6S)-2-ethyl-5-methyl-3-oxo-6-phenyl-4-({[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}oxy)-1,2,3,6-tetrahydro-2-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-(2S,6S)-2-ethyl-5-methyl-3-oxo-6-phenyl-4-({[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}oxy)-1,2,3,6-tetrahydro-2-pyridincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 614.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.6±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 126.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 280.63
ACD/KOC (pH 5.5): 1967.66
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 280.70
ACD/KOC (pH 7.4): 1968.16
Polar Surface Area: 108 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 384.5±5.0 cm3

Click to predict properties on the Chemicalize site


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