ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl beta-D-erythro-hexopyranosiduronic acid | C22H20O13

5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl β-D-erythro-hexopyranosiduronic acid

  • Molecular FormulaC22H20O13
  • Average mass492.386 Da
  • Monoisotopic mass492.090393 Da
  • ChemSpider ID24845448

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-(β-D-erythro-hexopyranuronosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl β-D-erythro-hexopyranosiduronic acid [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl-β-D-erythro-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-érythro-hexopyranosiduronique de 5,7-dihydroxy-2-(4-hydroxyphényl)-6-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 909.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.5±3.0 kJ/mol
Flash Point: 316.7±27.8 °C
Index of Refraction: 1.763
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 120.7±5.0 dyne/cm
Molar Volume: 268.8±5.0 cm3

Click to predict properties on the Chemicalize site


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