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Search term: WCERHXREIFDLLE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl 3-oxo-8-[(2,3,4,6-tetra-O-benzoyl-alpha-D-mannopyranosyl)oxy]-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate | C44H38O14

Ethyl 3-oxo-8-[(2,3,4,6-tetra-O-benzoyl-α-D-mannopyranosyl)oxy]-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate

  • Molecular FormulaC44H38O14
  • Average mass790.764 Da
  • Monoisotopic mass790.226135 Da
  • ChemSpider ID30781762

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

2-Oxabicyclo[2.2.2]oct-5-ene-6-carboxylic acid, 3-oxo-8-[(2,3,4,6-tetra-O-benzoyl-α-D-mannopyranosyl)oxy]-, ethyl ester [ACD/Index Name]
3-Oxo-8-[(2,3,4,6-tétra-O-benzoyl-α-D-mannopyranosyl)oxy]-2-oxabicyclo[2.2.2]oct-5-ène-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-oxo-8-[(2,3,4,6-tetra-O-benzoyl-α-D-mannopyranosyl)oxy]-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate [ACD/IUPAC Name]
Ethyl-3-oxo-8-[(2,3,4,6-tetra-O-benzoyl-α-D-mannopyranosyl)oxy]-2-oxabicyclo[2.2.2]oct-5-en-6-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 892.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 354.9±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 201.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 10.58
ACD/LogD (pH 5.5): 8.12
ACD/BCF (pH 5.5): 876394.06
ACD/KOC (pH 5.5): 624242.63
ACD/LogD (pH 7.4): 8.12
ACD/BCF (pH 7.4): 876394.06
ACD/KOC (pH 7.4): 624242.63
Polar Surface Area: 176 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 560.7±5.0 cm3

Click to predict properties on the Chemicalize site


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