ChemSpider 2D Image | 2-Phenylethyl D-glucopyranosiduronic acid | C14H18O7

2-Phenylethyl D-glucopyranosiduronic acid

  • Molecular FormulaC14H18O7
  • Average mass298.289 Da
  • Monoisotopic mass298.105255 Da
  • ChemSpider ID73983400

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2-Phenylethyl D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-Phenylethyl-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide D-glucopyranosiduronique de 2-phényléthyle [French] [ACD/IUPAC Name]
D-Glucopyranosiduronic acid, 2-phenylethyl [ACD/Index Name]
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(2-phenylethoxy)tetrahydropyran-2-carboxylic acid
18997-55-2 [RN]
2-Phenethyl Glucuronide

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 538.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.8±3.0 kJ/mol
    Flash Point: 203.4±23.6 °C
    Index of Refraction: 1.613
    Molar Refractivity: 71.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -0.55
    ACD/LogD (pH 5.5): -3.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 116 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 72.6±5.0 dyne/cm
    Molar Volume: 205.0±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement