ChemSpider 2D Image | (5R,6S)-1-Oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl beta-D-threo-hexopyranoside | C16H20O9

(5R,6S)-1-Oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl β-D-threo-hexopyranoside

  • Molecular FormulaC16H20O9
  • Average mass356.325 Da
  • Monoisotopic mass356.110718 Da
  • ChemSpider ID22906499

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(5R,6S)-1-Oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl β-D-threo-hexopyranoside [ACD/IUPAC Name]
(5R,6S)-1-Oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(β-D-threo-hexopyranosyloxy)-5,6-dihydro-, (5R,6S)- [ACD/Index Name]
β-D-thréo-Hexopyranoside de (5R,6S)-1-oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yle [French] [ACD/IUPAC Name]
(3S,4R)-4-ethenyl-3-[(2S,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
Gentiopicrin (Gentiopicroside)

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 667.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.6 mmHg at 25°C
    Enthalpy of Vaporization: 112.3±6.0 kJ/mol
    Flash Point: 247.1±25.0 °C
    Index of Refraction: 1.623
    Molar Refractivity: 82.2±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -3.17
    ACD/LogD (pH 5.5): -2.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.64
    ACD/LogD (pH 7.4): -2.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.64
    Polar Surface Area: 135 Å2
    Polarizability: 32.6±0.5 10-24cm3
    Surface Tension: 72.4±5.0 dyne/cm
    Molar Volume: 233.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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