ChemSpider 2D Image | 4,6-O-(3,4-Dihydroxybenzylidene)-3-O-palmitoyl-D-glucopyranose | C29H46O9

4,6-O-(3,4-Dihydroxybenzylidene)-3-O-palmitoyl-D-glucopyranose

  • Molecular FormulaC29H46O9
  • Average mass538.670 Da
  • Monoisotopic mass538.314209 Da
  • ChemSpider ID8090859

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

4,6-O-(3,4-Dihydroxybenzyliden)-3-O-palmitoyl-D-glucopyranose [German] [ACD/IUPAC Name]
4,6-O-(3,4-Dihydroxybenzylidene)-3-O-palmitoyl-D-glucopyranose [ACD/IUPAC Name]
4,6-O-(3,4-Dihydroxybenzylidène)-3-O-palmitoyl-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 4,6-O-[(3,4-dihydroxyphenyl)methylene]-3-O-(1-oxohexadecyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 668.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 210.0±25.0 °C
Index of Refraction: 1.560
Molar Refractivity: 142.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.50
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 174258.42
ACD/KOC (pH 5.5): 196421.08
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 170465.70
ACD/KOC (pH 7.4): 192145.98
Polar Surface Area: 135 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 440.0±5.0 cm3

Click to predict properties on the Chemicalize site


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