ChemSpider 2D Image | MFCD24849334 | C36H56O11

MFCD24849334

  • Molecular FormulaC36H56O11
  • Average mass664.823 Da
  • Monoisotopic mass664.382263 Da
  • ChemSpider ID58824324

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

108524-93-2 [RN]
1-O-[(3β)-3,19,24-Trihydroxy-24,28-dioxours-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3,19,24-Trihydroxy-24,28-dioxours-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-3,19,24-Trihydroxy-24,28-dioxours-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
Ilexsaponin A1
MFCD24849334
β-D-Glucopyranose, 1-O-[(3β)-3,19,24-trihydroxy-24,28-dioxours-12-en-28-yl]- [ACD/Index Name]
Ilexsaponin a

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 788.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±6.2 mmHg at 25°C
    Enthalpy of Vaporization: 130.6±6.0 kJ/mol
    Flash Point: 240.1±26.4 °C
    Index of Refraction: 1.611
    Molar Refractivity: 170.5±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 7
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 4
    ACD/LogP: 5.11
    ACD/LogD (pH 5.5): 3.33
    ACD/BCF (pH 5.5): 99.65
    ACD/KOC (pH 5.5): 413.81
    ACD/LogD (pH 7.4): 1.54
    ACD/BCF (pH 7.4): 1.64
    ACD/KOC (pH 7.4): 6.81
    Polar Surface Area: 194 Å2
    Polarizability: 67.6±0.5 10-24cm3
    Surface Tension: 67.5±5.0 dyne/cm
    Molar Volume: 490.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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