ChemSpider 2D Image | Methyl (6aR,7R,10aR)-8-ethoxy-6a,7,10a,12-tetrahydroxy-3-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydro-2-tetracenecarboxylate | C24H22O11

Methyl (6aR,7R,10aR)-8-ethoxy-6a,7,10a,12-tetrahydroxy-3-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydro-2-tetracenecarboxylate

  • Molecular FormulaC24H22O11
  • Average mass486.425 Da
  • Monoisotopic mass486.116211 Da
  • ChemSpider ID59701538

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6aR,7R,10aR)-8-Éthoxy-6a,7,10a,12-tétrahydroxy-3-méthoxy-1-méthyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydro-2-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Naphthacenecarboxylic acid, 8-ethoxy-6,6a,7,10,10a,11-hexahydro-6a,7,10a,12-tetrahydroxy-3-methoxy-1-methyl-6,10,11-trioxo-, methyl ester, (6aR,7R,10aR)- [ACD/Index Name]
Methyl (6aR,7R,10aR)-8-ethoxy-6a,7,10a,12-tetrahydroxy-3-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydro-2-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(6aR,7R,10aR)-8-ethoxy-6a,7,10a,12-tetrahydroxy-3-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydro-2-tetracencarboxylat [German] [ACD/IUPAC Name]
Tetracenomycin C, 3-demethoxy-3-ethoxy-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 793.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 274.0±26.4 °C
Index of Refraction: 1.699
Molar Refractivity: 116.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 140.85
ACD/KOC (pH 5.5): 884.77
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 2.59
ACD/KOC (pH 7.4): 16.28
Polar Surface Area: 177 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 88.5±5.0 dyne/cm
Molar Volume: 301.8±5.0 cm3

Click to predict properties on the Chemicalize site


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