ChemSpider 2D Image | 6-Deoxy-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-[(2alpha,3alpha,5xi,9xi)-2,3,23-trihydroxy-28-oxours-12-en-28-yl]-alpha-L-mannopyranose | C48H78O19

6-Deoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(2α,3α,5ξ,9ξ)-2,3,23-trihydroxy-28-oxours-12-en-28-yl]-α-L-mannopyranose

  • Molecular FormulaC48H78O19
  • Average mass959.122 Da
  • Monoisotopic mass958.513733 Da
  • ChemSpider ID17472671

  • defined stereocentres - 25 of 27 defined stereocentres

More details:

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

6-Deoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(2α,3α,5ξ,9ξ)-2,3,23-trihydroxy-28-oxours-12-en-28-yl]-α-L-mannopyranose [ACD/IUPAC Name]
6-Desoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(2α,3α,5ξ,9ξ)-2,3,23-trihydroxy-28-oxours-12-en-28-yl]-α-L-mannopyranose [German] [ACD/IUPAC Name]
6-Désoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(2α,3α,5ξ,9ξ)-2,3,23-trihydroxy-28-oxours-12-én-28-yl]-α-L-mannopyranose [French] [ACD/IUPAC Name]
α-L-Mannopyranose, O-6-deoxy-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-1-O-[(2α,3α,5ξ,9ξ)-2,3,23-trihydroxy-28-oxours-12-en-28-yl]- [ACD/Index Name]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 1017.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 168.3±6.0 kJ/mol
    Flash Point: 288.2±27.8 °C
    Index of Refraction: 1.630
    Molar Refractivity: 236.2±0.4 cm3
    #H bond acceptors: 19
    #H bond donors: 12
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 3.36
    ACD/LogD (pH 5.5): 2.29
    ACD/BCF (pH 5.5): 32.57
    ACD/KOC (pH 5.5): 420.95
    ACD/LogD (pH 7.4): 2.29
    ACD/BCF (pH 7.4): 32.57
    ACD/KOC (pH 7.4): 420.94
    Polar Surface Area: 315 Å2
    Polarizability: 93.6±0.5 10-24cm3
    Surface Tension: 77.3±5.0 dyne/cm
    Molar Volume: 664.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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