ChemSpider 2D Image | Tetramethyl (2S,3S,5S,6S)-7-oxabicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate | C14H18O9

Tetramethyl (2S,3S,5S,6S)-7-oxabicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate

  • Molecular FormulaC14H18O9
  • Average mass330.287 Da
  • Monoisotopic mass330.095093 Da
  • ChemSpider ID110092193

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(2S,3S,5S,6S)-7-Oxabicyclo[2.2.1]heptane-2,3,5,6-tétracarboxylate de tétraméthyle [French] [ACD/IUPAC Name]
7-Oxabicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylic acid, tetramethyl ester, (2S,3S,5S,6S)- [ACD/Index Name]
Tetramethyl (2S,3S,5S,6S)-7-oxabicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate [ACD/IUPAC Name]
Tetramethyl-(2S,3S,5S,6S)-7-oxabicyclo[2.2.1]heptan-2,3,5,6-tetracarboxylat [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: 416.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 183.3±27.4 °C
Index of Refraction: 1.488
Molar Refractivity: 71.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.50
ACD/KOC (pH 5.5): 102.12
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.50
ACD/KOC (pH 7.4): 102.12
Polar Surface Area: 114 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 246.7±3.0 cm3

Click to predict properties on the Chemicalize site


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