ChemSpider 2D Image | 6-O-({[2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl]oxy}acetyl)-L-glucopyranose | C24H24O14

6-O-({[2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl]oxy}acetyl)-L-glucopyranose

  • Molecular FormulaC24H24O14
  • Average mass536.439 Da
  • Monoisotopic mass536.116577 Da
  • ChemSpider ID24636678

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

6-O-({[2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl]oxy}acetyl)-L-glucopyranose [German] [ACD/IUPAC Name]
6-O-({[2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl]oxy}acetyl)-L-glucopyranose [ACD/IUPAC Name]
6-O-(2-{[2-(3,4-Dihydroxyphényl)-5-hydroxy-3-méthoxy-4-oxo-4H-chromén-7-yl]oxy}acétyl)-L-glucopyranose [French] [ACD/IUPAC Name]
L-Glucopyranose, 6-[2-[[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-1-benzopyran-7-yl]oxy]acetate] [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: 869.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.4±3.0 kJ/mol
Flash Point: 296.2±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 121.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.60
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 222 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 108.9±5.0 dyne/cm
Molar Volume: 306.9±5.0 cm3

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