ChemSpider 2D Image | Methyl 3-formyl-5-{3-[2-formyl-3-hydroxy-6-(methoxycarbonyl)-5-methylphenoxy]-2,6-dihydroxy-4-methylbenzyl}-2,4-dihydroxy-6-methylbenzoate | C28H26O12

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

  • Molecular FormulaC28H26O12
  • Average mass554.499 Da
  • Monoisotopic mass554.142456 Da
  • ChemSpider ID78435999

More details:

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

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 683.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 222.3±25.0 °C
Index of Refraction: 1.677
Molar Refractivity: 142.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 11189.99
ACD/KOC (pH 5.5): 24675.92
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 54.61
ACD/KOC (pH 7.4): 120.43
Polar Surface Area: 197 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 379.5±3.0 cm3

Click to predict properties on the Chemicalize site


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