ChemSpider 2D Image | 3-Methoxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C25H26O13

3-Methoxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC25H26O13
  • Average mass534.466 Da
  • Monoisotopic mass534.137329 Da
  • ChemSpider ID22870538

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,4-Naphthalenedione, 2-methoxy-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de 3-méthoxy-1,4-dioxo-1,4-dihydro-2-naphtalényle [French] [ACD/IUPAC Name]
3-Methoxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
3-Methoxy-1,4-dioxo-1,4-dihydro-2-naphthalinyl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((3-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(3-methoxy-1,4-dioxonaphthalen-2-yl)oxyoxan-2-yl]methyl acetate
127080-99-3 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 641.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.7±3.0 kJ/mol
    Flash Point: 272.5±31.5 °C
    Index of Refraction: 1.558
    Molar Refractivity: 122.9±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 0
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 2.98
    ACD/LogD (pH 5.5): 2.26
    ACD/BCF (pH 5.5): 30.97
    ACD/KOC (pH 5.5): 406.31
    ACD/LogD (pH 7.4): 2.26
    ACD/BCF (pH 7.4): 30.97
    ACD/KOC (pH 7.4): 406.31
    Polar Surface Area: 167 Å2
    Polarizability: 48.7±0.5 10-24cm3
    Surface Tension: 56.9±5.0 dyne/cm
    Molar Volume: 381.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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