ChemSpider 2D Image | 4-({[(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}amino)phenyl (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate | C26H31NO7

4-({[(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}amino)phenyl (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

  • Molecular FormulaC26H31NO7
  • Average mass469.527 Da
  • Monoisotopic mass469.210052 Da
  • ChemSpider ID62568905

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,4S)-4,7,7-Triméthyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate de 4-({[(1S,4R)-4,7,7-triméthyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}amino)phényle [French] [ACD/IUPAC Name]
2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 4-[[[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl]amino]phenyl ester, (1R,4S)- [ACD/Index Name]
4-({[(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}amino)phenyl (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate [ACD/IUPAC Name]
4-({[(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}amino)phenyl-(1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-carboxylat [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: 669.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.7±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 120.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.52
ACD/KOC (pH 5.5): 147.49
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.52
ACD/KOC (pH 7.4): 147.49
Polar Surface Area: 108 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 353.6±3.0 cm3

Click to predict properties on the Chemicalize site


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