ChemSpider 2D Image | 2-Phenylethyl 5-thio-beta-D-glucopyranoside | C14H20O5S

2-Phenylethyl 5-thio-β-D-glucopyranoside

  • Molecular FormulaC14H20O5S
  • Average mass300.371 Da
  • Monoisotopic mass300.103149 Da
  • ChemSpider ID24603576

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Phenylethyl 5-thio-β-D-glucopyranoside [ACD/IUPAC Name]
2-Phenylethyl-5-thio-β-D-glucopyranosid [German] [ACD/IUPAC Name]
5-Thio-β-D-glucopyranoside de 2-phényléthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-phenylethyl 5-thio- [ACD/Index Name]
800376-82-3 [RN]
MFCD03002038
PETG
Phenethyl-1-thio-Glucoside (PETG)
Phenylethyl b-D-thiogalactopyranoside

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 486.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.3±3.0 kJ/mol
    Flash Point: 248.3±28.7 °C
    Index of Refraction: 1.638
    Molar Refractivity: 77.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.96
    ACD/LogD (pH 5.5): 0.81
    ACD/BCF (pH 5.5): 2.42
    ACD/KOC (pH 5.5): 65.57
    ACD/LogD (pH 7.4): 0.81
    ACD/BCF (pH 7.4): 2.42
    ACD/KOC (pH 7.4): 65.57
    Polar Surface Area: 115 Å2
    Polarizability: 30.7±0.5 10-24cm3
    Surface Tension: 70.5±5.0 dyne/cm
    Molar Volume: 215.8±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement