ChemSpider 2D Image | 1-O-Benzoyl-6-O-(6-O-benzoyl-beta-D-glucopyranosyl)-beta-D-glucopyranose | C26H30O13

1-O-Benzoyl-6-O-(6-O-benzoyl-β-D-glucopyranosyl)-β-D-glucopyranose

  • Molecular FormulaC26H30O13
  • Average mass550.509 Da
  • Monoisotopic mass550.168640 Da
  • ChemSpider ID30821529

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1-O-Benzoyl-6-O-(6-O-benzoyl-β-D-glucopyranosyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-Benzoyl-6-O-(6-O-benzoyl-β-D-glucopyranosyl)-β-D-glucopyranose [ACD/IUPAC Name]
1-O-Benzoyl-6-O-(6-O-benzoyl-β-D-glucopyranosyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 6-O-(6-O-benzoyl-β-D-glucopyranosyl)-, 1-benzoate [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 778.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 259.1±26.4 °C
Index of Refraction: 1.656
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.84
ACD/KOC (pH 5.5): 73.41
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.84
ACD/KOC (pH 7.4): 73.40
Polar Surface Area: 202 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 84.4±5.0 dyne/cm
Molar Volume: 354.1±5.0 cm3

Click to predict properties on the Chemicalize site


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