ChemSpider 2D Image | 3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C24H24O13

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

  • Molecular FormulaC24H24O13
  • Average mass520.440 Da
  • Monoisotopic mass520.121704 Da
  • ChemSpider ID10259346

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,4-Naphthalenedione, 2-hydroxy-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-hydroxy-1,4-dioxo-1,4-dihydro-2-naphtalényle [French] [ACD/IUPAC Name]
3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-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-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
[(2S,3R,4S,5R,6R)-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-2-(3-HYDROXY-1,4-DIOXONAPHTHALEN-2-YL)OXYOXAN-3-YL] ACETATE
90659-67-9 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 623.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 97.1±3.0 kJ/mol
    Flash Point: 206.7±25.0 °C
    Index of Refraction: 1.576
    Molar Refractivity: 118.0±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 1.08
    ACD/BCF (pH 5.5): 2.88
    ACD/KOC (pH 5.5): 51.33
    ACD/LogD (pH 7.4): -0.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 178 Å2
    Polarizability: 46.8±0.5 10-24cm3
    Surface Tension: 62.9±5.0 dyne/cm
    Molar Volume: 356.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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