ChemSpider 2D Image | Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-arabino-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate | C30H35NO10

Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-α-L-arabino-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

  • Molecular FormulaC30H35NO10
  • Average mass569.600 Da
  • Monoisotopic mass569.226074 Da
  • ChemSpider ID57260707

  • 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-trihydroxy-6,11-dioxo-4-{[2,3,6-tridésoxy-3-(diméthylamino)-α-L-arabino-hexopyranosyl]oxy}-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-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-(dimethylamino)-α-L-arabino-hexopyranosyl]oxy]-, methyl ester, (1R,2R,4S)- [ACD/Index Name]
Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-α-L-arabino-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-tridesoxy-3-(dimethylamino)-α-L-arabino-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]
60504-57-6 [RN]
aklavine
MFCD01939769

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 716.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.0±3.0 kJ/mol
    Flash Point: 387.3±32.9 °C
    Index of Refraction: 1.658
    Molar Refractivity: 144.1±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 4.61
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 3.02
    ACD/KOC (pH 5.5): 15.50
    ACD/LogD (pH 7.4): 1.84
    ACD/BCF (pH 7.4): 4.06
    ACD/KOC (pH 7.4): 20.85
    Polar Surface Area: 163 Å2
    Polarizability: 57.1±0.5 10-24cm3
    Surface Tension: 75.6±5.0 dyne/cm
    Molar Volume: 391.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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