ChemSpider 2D Image | 5,8-Dihydroxy-6,7-dimethyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C26H28O14

5,8-Dihydroxy-6,7-dimethyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC26H28O14
  • Average mass564.492 Da
  • Monoisotopic mass564.147888 Da
  • ChemSpider ID17461373

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,4-Naphthalenedione, 5,8-dihydroxy-6,7-dimethyl-2-[(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 5,8-dihydroxy-6,7-diméthyl-1,4-dioxo-1,4-dihydro-2-naphtalényle [French] [ACD/IUPAC Name]
5,8-Dihydroxy-6,7-dimethyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
5,8-Dihydroxy-6,7-dimethyl-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)-3,4,5-triacetyloxy-6-(5,8-dihydroxy-6,7-dimethyl-1,4-dioxonaphthalen-2-yl)oxyoxan-2-yl]methyl acetate
956999-49-8 [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: 737.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.3±3.0 kJ/mol
    Flash Point: 242.7±26.4 °C
    Index of Refraction: 1.586
    Molar Refractivity: 129.0±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 4.54
    ACD/LogD (pH 5.5): 3.81
    ACD/BCF (pH 5.5): 462.75
    ACD/KOC (pH 5.5): 2794.55
    ACD/LogD (pH 7.4): 3.32
    ACD/BCF (pH 7.4): 149.84
    ACD/KOC (pH 7.4): 904.89
    Polar Surface Area: 198 Å2
    Polarizability: 51.2±0.5 10-24cm3
    Surface Tension: 66.6±5.0 dyne/cm
    Molar Volume: 384.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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