ChemSpider 2D Image | 8-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-1-{7-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-3-yl}-8-methyl-7,9-dioxo-2,3,4,7,8,9-hexahydro-1H-benzo[c]chromene-2,3-dic arboxylic acid | C42H32O18

8-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-1-{7-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-3-yl}-8-methyl-7,9-dioxo-2,3,4,7,8,9-hexahydro-1H-benzo[c]chromene-2,3-dic arboxylic acid

  • Molecular FormulaC42H32O18
  • Average mass824.693 Da
  • Monoisotopic mass824.158875 Da
  • ChemSpider ID7986913

More details:

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

1H-Dibenzo[b,d]pyran-2,3-dicarboxylic acid, 8-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-1-[7-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7,8-dihydro-7-methyl-6,8-dioxo-6H-2-benzopyran-3-yl]-2,3,4,7,8,9-hexahydro- 8-methyl-7,9-dioxo- [ACD/Index Name]
8-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-1-{7-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-3-yl}-8-methyl-7,9-dioxo-2,3,4,7,8,9-hexahydro-1H-benzo[c]chromen-2,3-dica rbonsäure [German] [ACD/IUPAC Name]
8-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-1-{7-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-3-yl}-8-methyl-7,9-dioxo-2,3,4,7,8,9-hexahydro-1H-benzo[c]chromene-2,3-dic arboxylic acid [ACD/IUPAC Name]
Acide 8-[(2,4-dihydroxy-6-méthylbenzoyl)oxy]-1-{7-[(2,4-dihydroxy-6-méthylbenzoyl)oxy]-7-méthyl-6,8-dioxo-7,8-dihydro-6H-isochromén-3-yl}-8-méthyl-7,9-dioxo-2,3,4,7,8,9-hexahydro-1H-benzo[c]chromène-2 ,3-dicarboxylique [French] [ACD/IUPAC Name]
Diazaphilonic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1169.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 181.1±3.0 kJ/mol
Flash Point: 358.9±27.8 °C
Index of Refraction: 1.746
Molar Refractivity: 195.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.42
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 103.0±5.0 dyne/cm
Molar Volume: 480.9±5.0 cm3

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