ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid | C28H28O18

5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid

  • Molecular FormulaC28H28O18
  • Average mass652.511 Da
  • Monoisotopic mass652.127563 Da
  • ChemSpider ID115269589

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-[(2-O-β-D-glucopyranuronosyl-β-D-glucopyranuronosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl-2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronique de 5-hydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
missing

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1063.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.3±3.0 kJ/mol
Flash Point: 348.3±27.8 °C
Index of Refraction: 1.749
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -6.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 123.6±5.0 dyne/cm
Molar Volume: 352.5±5.0 cm3

Click to predict properties on the Chemicalize site


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