ChemSpider 2D Image | Sakakin | C13H18O7

Sakakin

  • Molecular FormulaC13H18O7
  • Average mass286.278 Da
  • Monoisotopic mass286.105255 Da
  • ChemSpider ID28291314

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

21082-33-7 [RN]
3-Hydroxy-5-methylphenyl D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-5-methylphenyl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de 3-hydroxy-5-méthylphényle [French] [ACD/IUPAC Name]
D-Glucopyranoside, 3-hydroxy-5-methylphenyl [ACD/Index Name]
Sakakin
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol
(3R,4S,5S,6R)-2-(3-Hydroxy-5-methylphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
BS-16483
MFCD06794970 [MDL number]
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 570.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.0±3.0 kJ/mol
    Flash Point: 298.9±30.1 °C
    Index of Refraction: 1.637
    Molar Refractivity: 68.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 5
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: -0.77
    ACD/LogD (pH 5.5): -0.57
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.61
    ACD/LogD (pH 7.4): -0.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.53
    Polar Surface Area: 120 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 68.4±3.0 dyne/cm
    Molar Volume: 191.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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