ChemSpider 2D Image | Methyl (1R,2R,4S)-4-[(2,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate | C28H30O12

Methyl (1R,2R,4S)-4-[(2,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

  • Molecular FormulaC28H30O12
  • Average mass558.531 Da
  • Monoisotopic mass558.173706 Da
  • ChemSpider ID34241832

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,4S)-4-[(2,6-Didésoxy-α-L-arabino-hexopyranosyl)oxy]-2-éthyl-2,5,7,12-tétrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 4-[(2,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)- [ACD/Index Name]
Methyl (1R,2R,4S)-4-[(2,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,4S)-4-[(2,6-didesoxy-α-L-arabino-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-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: 1.6±0.1 g/cm3
Boiling Point: 705.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 231.2±26.4 °C
Index of Refraction: 1.699
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 244.34
ACD/KOC (pH 5.5): 1709.31
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 9.62
ACD/KOC (pH 7.4): 67.32
Polar Surface Area: 200 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 93.8±5.0 dyne/cm
Molar Volume: 347.1±5.0 cm3

Click to predict properties on the Chemicalize site


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