ChemSpider 2D Image | 1-O-(3-{[5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-oxopropanoyl)-alpha-D-glucopyranose | C24H22O13

1-O-(3-{[5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-oxopropanoyl)-α-D-glucopyranose

  • Molecular FormulaC24H22O13
  • Average mass518.424 Da
  • Monoisotopic mass518.106018 Da
  • ChemSpider ID8090230

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-(3-{[5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-oxopropanoyl)-α-D-glucopyranose [ACD/IUPAC Name]
1-O-(3-{[5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-oxopropanoyl)-α-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-(3-{[5-Hydroxy-3-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yl]oxy}-3-oxopropanoyl)-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 1-O-[3-[[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-1,3-dioxopropyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 834.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 286.1±27.8 °C
Index of Refraction: 1.721
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 47.24
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 210 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 105.4±5.0 dyne/cm
Molar Volume: 301.1±5.0 cm3

Click to predict properties on the Chemicalize site


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