ChemSpider 2D Image | (2R,3R)-5,7-Dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl 4-methoxybenzoate | C28H28O10

(2R,3R)-5,7-Dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl 4-methoxybenzoate

  • Molecular FormulaC28H28O10
  • Average mass524.516 Da
  • Monoisotopic mass524.168274 Da
  • ChemSpider ID58859347

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-5,7-Dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl 4-methoxybenzoate [ACD/IUPAC Name]
(2R,3R)-5,7-Dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl-4-methoxybenzoat [German] [ACD/IUPAC Name]
4-Méthoxybenzoate de (2R,3R)-5,7-diméthoxy-4-oxo-2-(3,4,5-triméthoxyphényl)-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methoxy-, (2R,3R)-3,4-dihydro-5,7-dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-2H-1-benzopyran-3-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 293.1±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1166.60
ACD/KOC (pH 5.5): 5456.34
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1166.60
ACD/KOC (pH 7.4): 5456.34
Polar Surface Area: 108 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 393.3±5.0 cm3

Click to predict properties on the Chemicalize site


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