ChemSpider 2D Image | 5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl methyl beta-D-glucopyranosiduronate | C24H24O12

5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl methyl β-D-glucopyranosiduronate

  • Molecular FormulaC24H24O12
  • Average mass504.440 Da
  • Monoisotopic mass504.126770 Da
  • ChemSpider ID81422660

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(6-methyl-β-D-glucopyranuronosyl)oxy]- [ACD/Index Name]
5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl methyl β-D-glucopyranosiduronate [ACD/IUPAC Name]
5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-methyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
70938-59-9 [RN]
Comanthoside A
methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 744.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 254.6±26.4 °C
Index of Refraction: 1.642
Molar Refractivity: 119.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.62
ACD/KOC (pH 5.5): 45.96
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.63
Polar Surface Area: 170 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 331.8±3.0 cm3

Click to predict properties on the Chemicalize site


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