ChemSpider 2D Image | (2R,3R)-5,7-Dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trimethoxybenzoate | C30H32O12

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

  • Molecular FormulaC30H32O12
  • Average mass584.568 Da
  • Monoisotopic mass584.189392 Da
  • ChemSpider ID10305971

  • 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 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
(2R,3R)-5,7-Dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Triméthoxybenzoate 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, 3,4,5-trimethoxy-, (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±0.0 g/cm3
Boiling Point: 698.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 102.3±0.0 kJ/mol
Flash Point: 291.8±0.0 °C
Index of Refraction: 1.590
Molar Refractivity: 147.2±0.0 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 20809.59
ACD/KOC (pH 5.5): 42913.99
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 20809.59
ACD/KOC (pH 7.4): 42913.99
Polar Surface Area: 126 Å2
Polarizability: 58.4±0.0 10-24cm3
Surface Tension: 56.5±0.0 dyne/cm
Molar Volume: 436.4±0.0 cm3

Click to predict properties on the Chemicalize site


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