ChemSpider 2D Image | Methyl 3-{3-[2-formyl-3-hydroxy-6-(methoxycarbonyl)-5-methylphenoxy]-2,6-dihydroxy-4-methylbenzyl}-4,6-dihydroxy-2,5-dimethylbenzoate | C28H28O11

Methyl 3-{3-[2-formyl-3-hydroxy-6-(methoxycarbonyl)-5-methylphenoxy]-2,6-dihydroxy-4-methylbenzyl}-4,6-dihydroxy-2,5-dimethylbenzoate

  • Molecular FormulaC28H28O11
  • Average mass540.515 Da
  • Monoisotopic mass540.163147 Da
  • ChemSpider ID78435962

More details:

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

3-{3-[2-Formyl-3-hydroxy-6-(méthoxycarbonyl)-5-méthylphénoxy]-2,6-dihydroxy-4-méthylbenzyl}-4,6-dihydroxy-2,5-diméthylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3-[2-formyl-3-hydroxy-6-(methoxycarbonyl)-5-methylphenoxy]-2,6-dihydroxy-4-methylphenyl]methyl]-4,6-dihydroxy-2,5-dimethyl-, methyl ester [ACD/Index Name]
Methyl 3-{3-[2-formyl-3-hydroxy-6-(methoxycarbonyl)-5-methylphenoxy]-2,6-dihydroxy-4-methylbenzyl}-4,6-dihydroxy-2,5-dimethylbenzoate [ACD/IUPAC Name]
Methyl-3-{3-[2-formyl-3-hydroxy-6-(methoxycarbonyl)-5-methylphenoxy]-2,6-dihydroxy-4-methylbenzyl}-4,6-dihydroxy-2,5-dimethylbenzoat [German] [ACD/IUPAC Name]
Parmoether A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 750.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 247.2±26.4 °C
Index of Refraction: 1.655
Molar Refractivity: 141.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7006.56
ACD/KOC (pH 5.5): 18359.23
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 341.89
ACD/KOC (pH 7.4): 895.84
Polar Surface Area: 180 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 384.1±3.0 cm3

Click to predict properties on the Chemicalize site


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