ChemSpider 2D Image | 5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C24H24O14

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

  • Molecular FormulaC24H24O14
  • Average mass536.439 Da
  • Monoisotopic mass536.116577 Da
  • ChemSpider ID17461111

  • 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-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-1,4-dioxo-1,4-dihydro-2-naphtalényle [French] [ACD/IUPAC Name]
5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
5,8-Dihydroxy-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-((5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
161713-61-7 [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: 705.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.9±3.0 kJ/mol
    Flash Point: 236.5±26.4 °C
    Index of Refraction: 1.594
    Molar Refractivity: 119.8±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 3.62
    ACD/LogD (pH 5.5): 2.71
    ACD/BCF (pH 5.5): 66.57
    ACD/KOC (pH 5.5): 689.16
    ACD/LogD (pH 7.4): 1.87
    ACD/BCF (pH 7.4): 9.54
    ACD/KOC (pH 7.4): 98.72
    Polar Surface Area: 198 Å2
    Polarizability: 47.5±0.5 10-24cm3
    Surface Tension: 70.0±5.0 dyne/cm
    Molar Volume: 353.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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