ChemSpider 2D Image | (1S)-1,4-Anhydro-2-deoxy-1-phenyl-D-erythro-pentitol | C11H14O3

(1S)-1,4-Anhydro-2-deoxy-1-phenyl-D-erythro-pentitol

  • Molecular FormulaC11H14O3
  • Average mass194.227 Da
  • Monoisotopic mass194.094299 Da
  • ChemSpider ID73997975

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S)-1,4-Anhydro-2-deoxy-1-phenyl-D-erythro-pentitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-2-desoxy-1-phenyl-D-erythro-pentitol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-2-désoxy-1-phényl-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,4-anhydro-2-deoxy-1-C-phenyl-, (1S)- [ACD/Index Name]
(2R,3S,5S)-2-(hydroxymethyl)-5-phenyltetrahydrofuran-3-ol

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 385.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.9±3.0 kJ/mol
    Flash Point: 186.7±27.9 °C
    Index of Refraction: 1.570
    Molar Refractivity: 52.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.06
    ACD/LogD (pH 5.5): 0.77
    ACD/BCF (pH 5.5): 2.27
    ACD/KOC (pH 5.5): 62.51
    ACD/LogD (pH 7.4): 0.77
    ACD/BCF (pH 7.4): 2.27
    ACD/KOC (pH 7.4): 62.51
    Polar Surface Area: 50 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 50.9±3.0 dyne/cm
    Molar Volume: 159.5±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement