ChemSpider 2D Image | Methyl (1R,2R,4S)-2-ethyl-2,5,7,12-tetrahydroxy-4-(alpha-L-lyxofuranosyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate | C27H28O13

Methyl (1R,2R,4S)-2-ethyl-2,5,7,12-tetrahydroxy-4-(α-L-lyxofuranosyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

  • Molecular FormulaC27H28O13
  • Average mass560.503 Da
  • Monoisotopic mass560.153015 Da
  • ChemSpider ID34241838

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,4S)-2-Éthyl-2,5,7,12-tétrahydroxy-4-(α-L-lyxofuranosyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-4-(α-L-lyxofuranosyloxy)-6,11-dioxo-, methyl ester, (1R,2R,4S)- [ACD/Index Name]
Methyl (1R,2R,4S)-2-ethyl-2,5,7,12-tetrahydroxy-4-(α-L-lyxofuranosyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,4S)-2-ethyl-2,5,7,12-tetrahydroxy-4-(α-L-lyxofuranosyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 744.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 247.1±26.4 °C
Index of Refraction: 1.729
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 72.42
ACD/KOC (pH 5.5): 715.67
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 2.83
ACD/KOC (pH 7.4): 27.98
Polar Surface Area: 221 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 107.6±5.0 dyne/cm
Molar Volume: 328.2±5.0 cm3

Click to predict properties on the Chemicalize site


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