ChemSpider 2D Image | 1,2,3,4,6-Penta-O-benzoyl-D-mannopyranose | C41H32O11

1,2,3,4,6-Penta-O-benzoyl-D-mannopyranose

  • Molecular FormulaC41H32O11
  • Average mass700.686 Da
  • Monoisotopic mass700.194458 Da
  • ChemSpider ID9774860

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3S,4S,5R,6R)-3,4,5-tris(benzoyloxy)-6-[(benzoyloxy)methyl]oxan-2-yl benzoate
1,2,3,4,6-Penta-O-benzoyl-D-mannopyranose [ACD/IUPAC Name]
1,2,3,4,6-Penta-O-benzoyl-D-mannopyranose [German] [ACD/IUPAC Name]
1,2,3,4,6-Penta-O-benzoyl-D-mannopyranose [French] [ACD/IUPAC Name]
96996-90-6 [RN]
D-Mannopyranose, pentabenzoate [ACD/Index Name]
(2R,3R,4S,5S)-4,5,6-tris(benzoyloxy)-2-[(benzoyloxy)methyl]oxan-3-yl benzoate
(3s,4s,5r,6r)-6-((benzoyloxy)methyl)tetrahydro-2h-pyran-2,3,4,5-tetrayl tetrabenzoate
(3S,4S,5R,6R)-6-((benzoyloxy)methyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetrabenzoate(WXC02200)
1,2,3,4,6-penta-O-benzoyl-α,β-D-mannopyranoside
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 803.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 116.9±3.0 kJ/mol
    Flash Point: 325.9±34.3 °C
    Index of Refraction: 1.649
    Molar Refractivity: 185.4±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 0
    #Freely Rotating Bonds: 16
    #Rule of 5 Violations: 3
    ACD/LogP: 11.80
    ACD/LogD (pH 5.5): 9.51
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 3561898.25
    ACD/LogD (pH 7.4): 9.51
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 3561898.25
    Polar Surface Area: 141 Å2
    Polarizability: 73.5±0.5 10-24cm3
    Surface Tension: 65.6±5.0 dyne/cm
    Molar Volume: 508.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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