ChemSpider 2D Image | 6-O-(2-Hydroxy-4-methoxybenzoyl)-alpha-D-glucopyranosyl 6-O-(2-hydroxy-4-methoxybenzoyl)-alpha-D-glucopyranoside | C28H34O17

6-O-(2-Hydroxy-4-methoxybenzoyl)-α-D-glucopyranosyl 6-O-(2-hydroxy-4-methoxybenzoyl)-α-D-glucopyranoside

  • Molecular FormulaC28H34O17
  • Average mass642.559 Da
  • Monoisotopic mass642.179626 Da
  • ChemSpider ID76784523

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

6-O-(2-Hydroxy-4-méthoxybenzoyl)-α-D-glucopyranoside de 6-O-(2-hydroxy-4-méthoxybenzoyl)-α-D-glucopyranosyle [French] [ACD/IUPAC Name]
6-O-(2-Hydroxy-4-methoxybenzoyl)-α-D-glucopyranosyl 6-O-(2-hydroxy-4-methoxybenzoyl)-α-D-glucopyranoside [ACD/IUPAC Name]
6-O-(2-Hydroxy-4-methoxybenzoyl)-α-D-glucopyranosyl-6-O-(2-hydroxy-4-methoxybenzoyl)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside, 6-O-(2-hydroxy-4-methoxybenzoyl)-α-D-glucopyranosyl, 6-(2-hydroxy-4-methoxybenzoate) [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: 876.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 284.1±27.8 °C
Index of Refraction: 1.670
Molar Refractivity: 145.9±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.58
ACD/KOC (pH 5.5): 291.09
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 6.68
ACD/KOC (pH 7.4): 99.34
Polar Surface Area: 261 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 95.5±5.0 dyne/cm
Molar Volume: 390.6±5.0 cm3

Click to predict properties on the Chemicalize site


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