ChemSpider 2D Image | 4-{2-[3-(beta-D-Glucopyranuronosyloxy)-5-hydroxyphenyl]ethyl}phenyl beta-D-glucopyranosiduronic acid | C26H30O15

4-{2-[3-(β-D-Glucopyranuronosyloxy)-5-hydroxyphenyl]ethyl}phenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC26H30O15
  • Average mass582.507 Da
  • Monoisotopic mass582.158447 Da
  • ChemSpider ID59000686

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-{2-[3-(β-D-Glucopyranuronosyloxy)-5-hydroxyphenyl]ethyl}phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-{2-[3-(β-D-Glucopyranuronosyloxy)-5-hydroxyphenyl]ethyl}phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 4-{2-[3-(β-D-glucopyranuronosyloxy)-5-hydroxyphényl]éthyl}phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 4-[2-[3-(β-D-glucopyranuronosyloxy)-5-hydroxyphenyl]ethyl]phenyl [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: 945.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.1±3.0 kJ/mol
Flash Point: 314.5±27.8 °C
Index of Refraction: 1.706
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.96
ACD/LogD (pH 5.5): -6.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 105.3±3.0 dyne/cm
Molar Volume: 342.9±3.0 cm3

Click to predict properties on the Chemicalize site


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