ChemSpider 2D Image | Dimethyl (1R,4S)-5,6-bis(acetoxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate | C16H18O9

Dimethyl (1R,4S)-5,6-bis(acetoxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

  • Molecular FormulaC16H18O9
  • Average mass354.309 Da
  • Monoisotopic mass354.095093 Da
  • ChemSpider ID34242340

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,4S)-5,6-Bis(acétoxyméthyl)-7-oxabicyclo[2.2.1]hepta-2,5-diène-2,3-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid, 5,6-bis[(acetyloxy)methyl]-, dimethyl ester, (1R,4S)- [ACD/Index Name]
Dimethyl (1R,4S)-5,6-bis(acetoxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(1R,4S)-5,6-bis(acetoxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2,3-dicarboxylat [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: 453.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 199.6±28.8 °C
Index of Refraction: 1.514
Molar Refractivity: 79.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.17
ACD/KOC (pH 5.5): 243.78
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.17
ACD/KOC (pH 7.4): 243.78
Polar Surface Area: 114 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 265.2±3.0 cm3

Click to predict properties on the Chemicalize site


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