ChemSpider 2D Image | Methyl 2-ethyl-2,5,7,12-tetrahydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate | C22H18O9

Methyl 2-ethyl-2,5,7,12-tetrahydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

  • Molecular FormulaC22H18O9
  • Average mass426.373 Da
  • Monoisotopic mass426.095093 Da
  • ChemSpider ID14999271

More details:

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

1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-4,6,11-trioxo-, methyl ester [ACD/Index Name]
2-Éthyl-2,5,7,12-tétrahydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-ethyl-2,5,7,12-tetrahydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
methyl 2-ethyl-2,5,7,12-tetrahydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Methyl-2-ethyl-2,5,7,12-tetrahydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL388565/
Maggiemycin
methyl 2-ethyl-2,5,7,12-tetrahydroxy-4,6,11-trioxo-1,2,3-trihydronaphthacenecarboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 653.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 230.8±25.0 °C
Index of Refraction: 1.694
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 887.57
ACD/KOC (pH 5.5): 3159.75
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 5.23
Polar Surface Area: 158 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 83.1±3.0 dyne/cm
Molar Volume: 268.3±3.0 cm3

Click to predict properties on the Chemicalize site


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