ChemSpider 2D Image | 1,5-Anhydro-4,6-O-benzylidene-2-O-(4-methylbenzoyl)-L-glucitol | C21H22O6

1,5-Anhydro-4,6-O-benzylidene-2-O-(4-methylbenzoyl)-L-glucitol

  • Molecular FormulaC21H22O6
  • Average mass370.396 Da
  • Monoisotopic mass370.141632 Da
  • ChemSpider ID111309928

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1,5-Anhydro-4,6-O-benzyliden-2-O-(4-methylbenzoyl)-L-glucitol [German] [ACD/IUPAC Name]
1,5-Anhydro-4,6-O-benzylidene-2-O-(4-methylbenzoyl)-L-glucitol [ACD/IUPAC Name]
1,5-Anhydro-4,6-O-benzylidène-2-O-(4-méthylbenzoyl)-L-glucitol [French] [ACD/IUPAC Name]
L-Glucitol, 1,5-anhydro-4,6-O-(phenylmethylene)-, 2-(4-methylbenzoate) [ACD/Index 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: 558.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 197.8±23.6 °C
Index of Refraction: 1.611
Molar Refractivity: 97.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 648.52
ACD/KOC (pH 5.5): 3584.08
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 648.52
ACD/KOC (pH 7.4): 3584.06
Polar Surface Area: 74 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 281.0±5.0 cm3

Click to predict properties on the Chemicalize site


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