ChemSpider 2D Image | 5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-O-(6-deoxy-beta-D-glucopyranosyl)-beta-D-glucopyranoside | C27H30O13

5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-O-(6-deoxy-β-D-glucopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC27H30O13
  • Average mass562.519 Da
  • Monoisotopic mass562.168640 Da
  • ChemSpider ID9192366

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-[[4-O-(6-deoxy-β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-phenyl- [ACD/Index Name]
4-O-(6-Désoxy-β-D-glucopyranosyl)-β-D-glucopyranoside de 5-hydroxy-4-oxo-2-phényl-4H-chromén-7-yle [French] [ACD/IUPAC Name]
5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-O-(6-deoxy-β-D-glucopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl-4-O-(6-desoxy-β-D-glucopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC 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: 872.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.8±3.0 kJ/mol
Flash Point: 291.5±27.8 °C
Index of Refraction: 1.707
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 37.09
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.24
Polar Surface Area: 205 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 95.5±5.0 dyne/cm
Molar Volume: 343.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement