ChemSpider 2D Image | 1,4,6-Tri-O-acetyl-2,3-O-(oxomethylene)-alpha-D-mannopyranose | C13H16O10

1,4,6-Tri-O-acetyl-2,3-O-(oxomethylene)-α-D-mannopyranose

  • Molecular FormulaC13H16O10
  • Average mass332.260 Da
  • Monoisotopic mass332.074341 Da
  • ChemSpider ID31045709

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,4,6-Tri-O-acetyl-2,3-O-(oxomethylen)-α-D-mannopyranose [German] [ACD/IUPAC Name]
1,4,6-Tri-O-acetyl-2,3-O-(oxomethylene)-α-D-mannopyranose [ACD/IUPAC Name]
1,4,6-Tri-O-acétyl-2,3-O-(oxométhylène)-α-D-mannopyranose [French] [ACD/IUPAC Name]
53958-20-6 [RN]
α-D-Mannopyranose, 2,3-O-carbonyl-, triacetate [ACD/Index Name]
(3AS,4R,6R,7R,7aS)-6-(acetoxymethyl)-2-oxotetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4,7-diyl diacetate
1,4,6-Tri-O-acetyl-2,3-O-carbonyl-a-D-mannopyranose
1,4,6-TRI-O-ACETYL-α-D-MANNOPYRANOSE 2,3-CARBONATE
2,3-O-Carbonyl-1,4,6-tri-O-acetyl-a-D-mannopyranose
79414-66-7 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 487.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.3±3.0 kJ/mol
    Flash Point: 217.9±28.8 °C
    Index of Refraction: 1.502
    Molar Refractivity: 69.0±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 0.77
    ACD/LogD (pH 5.5): 0.66
    ACD/BCF (pH 5.5): 1.86
    ACD/KOC (pH 5.5): 54.29
    ACD/LogD (pH 7.4): 0.66
    ACD/BCF (pH 7.4): 1.86
    ACD/KOC (pH 7.4): 54.29
    Polar Surface Area: 124 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 50.8±5.0 dyne/cm
    Molar Volume: 233.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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