ChemSpider 2D Image | 3-[2-(beta-D-Glucopyranosyloxy)-4-hydroxy-5-methoxyphenyl]-2-[(2-oxo-2H-chromen-7-yl)oxy]propanoic acid | C25H26O13

3-[2-(β-D-Glucopyranosyloxy)-4-hydroxy-5-methoxyphenyl]-2-[(2-oxo-2H-chromen-7-yl)oxy]propanoic acid

  • Molecular FormulaC25H26O13
  • Average mass534.466 Da
  • Monoisotopic mass534.137329 Da
  • ChemSpider ID29814437

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

3-[2-(β-D-Glucopyranosyloxy)-4-hydroxy-5-methoxyphenyl]-2-[(2-oxo-2H-chromen-7-yl)oxy]propanoic acid [ACD/IUPAC Name]
3-[2-(β-D-Glucopyranosyloxy)-4-hydroxy-5-methoxyphenyl]-2-[(2-oxo-2H-chromen-7-yl)oxy]propansäure [German] [ACD/IUPAC Name]
Acide 3-[2-(β-D-glucopyranosyloxy)-4-hydroxy-5-méthoxyphényl]-2-[(2-oxo-2H-chromén-7-yl)oxy]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2-(β-D-glucopyranosyloxy)-4-hydroxy-5-methoxy-α-[(2-oxo-2H-1-benzopyran-7-yl)oxy]- [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: 864.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 292.8±27.8 °C
Index of Refraction: 1.665
Molar Refractivity: 126.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -2.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 81.6±3.0 dyne/cm
Molar Volume: 339.3±3.0 cm3

Click to predict properties on the Chemicalize site


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