ChemSpider 2D Image | 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 2-O-beta-D-threo-hexopyranosyl-beta-D-threo-hexopyranosiduronic acid | C29H32O17

5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 2-O-β-D-threo-hexopyranosyl-β-D-threo-hexopyranosiduronic acid

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID24844057

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 6-[(2-O-β-D-threo-hexopyranosyl-β-D-threo-hexopyranuronosyl)oxy]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)- [ACD/Index Name]
5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 2-O-β-D-threo-hexopyranosyl-β-D-threo-hexopyranosiduronic acid [ACD/IUPAC Name]
5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl-2-O-β-D-threo-hexopyranosyl-β-D-threo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 2-O-β-D-thréo-hexopyranosyl-β-D-thréo-hexopyranosiduronique de 5-hydroxy-7-méthoxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-6-yle [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: 985.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.5±3.0 kJ/mol
Flash Point: 320.7±27.8 °C
Index of Refraction: 1.707
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -4.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 261 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 103.4±5.0 dyne/cm
Molar Volume: 380.5±5.0 cm3

Click to predict properties on the Chemicalize site


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