ChemSpider 2D Image | 4-(5,7-Dihydroxy-3,6-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl beta-D-glycero-hexopyranosiduronic acid | C24H24O14

4-(5,7-Dihydroxy-3,6-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl β-D-glycero-hexopyranosiduronic acid

  • Molecular FormulaC24H24O14
  • Average mass536.439 Da
  • Monoisotopic mass536.116577 Da
  • ChemSpider ID24845528

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

4-(5,7-Dihydroxy-3,6-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl β-D-glycero-hexopyranosiduronic acid [ACD/IUPAC Name]
4-(5,7-Dihydroxy-3,6-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl-β-D-glycero-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(β-D-glycero-hexopyranuronosyloxy)-3-methoxyphenyl]-5,7-dihydroxy-3,6-dimethoxy- [ACD/Index Name]
Acide β-D-glycéro-hexopyranosiduronique de 4-(5,7-dihydroxy-3,6-diméthoxy-4-oxo-4H-chromén-2-yl)-2-méthoxyphényle [French] [ACD/IUPAC 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: 878.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.8±3.0 kJ/mol
Flash Point: 299.5±27.8 °C
Index of Refraction: 1.702
Molar Refractivity: 122.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 98.5±5.0 dyne/cm
Molar Volume: 315.2±5.0 cm3

Click to predict properties on the Chemicalize site


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