ChemSpider 2D Image | Methyl 5-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranoside | C13H15ClO5

Methyl 5-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranoside

  • Molecular FormulaC13H15ClO5
  • Average mass286.708 Da
  • Monoisotopic mass286.060791 Da
  • ChemSpider ID68014705

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1133973-26-8 [RN]
5-O-(4-Chlorobenzoyl)-2-désoxy-D-érythro-pentofuranoside de méthyle [French] [ACD/IUPAC Name]
D-erythro-Pentofuranoside, methyl 2-deoxy-, 5-(4-chlorobenzoate) [ACD/Index Name]
Methyl 5-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranoside [ACD/IUPAC Name]
Methyl-5-O-(4-chlorbenzoyl)-2-desoxy-D-erythro-pentofuranosid [German] [ACD/IUPAC Name]
((2R,3S)-3-hydroxy-5-methoxytetrahydrofuran-2-yl)methyl 4-chlorobenzoate
CS-15352
MFCD31630864

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 422.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.4±3.0 kJ/mol
    Flash Point: 209.4±28.7 °C
    Index of Refraction: 1.561
    Molar Refractivity: 68.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.65
    ACD/LogD (pH 5.5): 1.87
    ACD/BCF (pH 5.5): 15.57
    ACD/KOC (pH 5.5): 248.31
    ACD/LogD (pH 7.4): 1.87
    ACD/BCF (pH 7.4): 15.57
    ACD/KOC (pH 7.4): 248.31
    Polar Surface Area: 65 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 51.5±5.0 dyne/cm
    Molar Volume: 212.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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