ChemSpider 2D Image | (3R,4S,5S,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl palmitate (non-preferred name) | C22H42O8

(3R,4S,5S,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl palmitate (non-preferred name)

  • Molecular FormulaC22H42O8
  • Average mass434.564 Da
  • Monoisotopic mass434.287964 Da
  • ChemSpider ID67163696

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3R,4S,5S,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl palmitate (non-preferred name) [ACD/IUPAC Name]
(3R,4S,5S,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylpalmitat (non-preferred name) [German] [ACD/IUPAC Name]
Palmitate de (3R,4S,5S,6R)-2,3,4,5-tétrahydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle (non-preferred name) [French] [ACD/IUPAC Name]
glucose palmitate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 558.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.6±6.0 kJ/mol
Flash Point: 180.2±23.6 °C
Index of Refraction: 1.524
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13872.44
ACD/KOC (pH 5.5): 32099.19
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13469.76
ACD/KOC (pH 7.4): 31167.43
Polar Surface Area: 137 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 369.7±5.0 cm3

Click to predict properties on the Chemicalize site


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