ChemSpider 2D Image | 5-[7-(alpha-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenyl alpha-D-glucopyranosiduronic acid | C28H28O18

5-[7-(α-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenyl α-D-glucopyranosiduronic acid

  • Molecular FormulaC28H28O18
  • Average mass652.511 Da
  • Monoisotopic mass652.127563 Da
  • ChemSpider ID110415966

  • 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-(α-D-glucopyranuronosyloxy)-2-[3-(α-D-glucopyranuronosyloxy)-4-methoxyphenyl]-5-hydroxy- [ACD/Index Name]
5-[7-(α-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenyl α-D-glucopyranosiduronic acid [ACD/IUPAC Name]
5-[7-(α-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-methoxyphenyl-α-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide α-D-glucopyranosiduronique de 5-[7-(α-D-glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-chromén-2-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
152503-51-0 [RN]
Diosmetin 7,3'-di-O-β-D-glucuronide

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1050.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.1±3.0 kJ/mol
Flash Point: 344.1±27.8 °C
Index of Refraction: 1.723
Molar Refractivity: 143.9±0.3 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.90
ACD/LogD (pH 5.5): -7.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 109.6±3.0 dyne/cm
Molar Volume: 363.2±3.0 cm3

Click to predict properties on the Chemicalize site


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