ChemSpider 2D Image | 3-{[2-(3,4-Dihydroxyphenyl)-3-(hexopyranosyloxy)-4-oxo-3,4-dihydro-2H-chromen-7-yl]oxy}-3-oxopropanoic acid | C24H24O14

3-{[2-(3,4-Dihydroxyphenyl)-3-(hexopyranosyloxy)-4-oxo-3,4-dihydro-2H-chromen-7-yl]oxy}-3-oxopropanoic acid

  • Molecular FormulaC24H24O14
  • Average mass536.439 Da
  • Monoisotopic mass536.116577 Da
  • ChemSpider ID2607168

More details:

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

3-{[2-(3,4-Dihydroxyphenyl)-3-(hexopyranosyloxy)-4-oxo-3,4-dihydro-2H-chromen-7-yl]oxy}-3-oxopropanoic acid [ACD/IUPAC Name]
3-{[2-(3,4-Dihydroxyphenyl)-3-(hexopyranosyloxy)-4-oxo-3,4-dihydro-2H-chromen-7-yl]oxy}-3-oxopropansäure [German] [ACD/IUPAC Name]
Acide 3-{[2-(3,4-dihydroxyphényl)-3-(hexopyranosyloxy)-4-oxo-3,4-dihydro-2H-chromén-7-yl]oxy}-3-oxopropanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, mono[2-(3,4-dihydroxyphenyl)-3-(hexopyranosyloxy)-3,4-dihydro-4-oxo-2H-1-benzopyran-7-yl] ester [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 908.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 309.6±27.8 °C
Index of Refraction: 1.719
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -4.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 110.7±5.0 dyne/cm
Molar Volume: 306.4±5.0 cm3

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