ChemSpider 2D Image | Octyl (5xi)-1-thio-alpha-L-lyxo-hexopyranoside | C14H28O5S

Octyl (5ξ)-1-thio-α-L-lyxo-hexopyranoside

  • Molecular FormulaC14H28O5S
  • Average mass308.434 Da
  • Monoisotopic mass308.165741 Da
  • ChemSpider ID32696523

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5ξ)-1-Thio-α-L-lyxo-hexopyranoside d'octyle [French] [ACD/IUPAC Name]
Octyl (5ξ)-1-thio-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
Octyl-(5ξ)-1-thio-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
α-L-lyxo-Hexopyranoside, octyl 1-thio-, (5ξ)- [ACD/Index Name]
42891-16-7 [RN]
MFCD00133686 [MDL number]
n-Octyl-1-thio-β-D-Gal
N-OCTYL-β-D-THIOGALACTOPYRANOSIDE
Octyl-β-D-thiogalactoside

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 489.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 87.1±6.0 kJ/mol
    Flash Point: 250.0±28.7 °C
    Index of Refraction: 1.548
    Molar Refractivity: 80.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.83
    ACD/LogD (pH 5.5): 1.89
    ACD/BCF (pH 5.5): 16.02
    ACD/KOC (pH 5.5): 253.48
    ACD/LogD (pH 7.4): 1.89
    ACD/BCF (pH 7.4): 16.02
    ACD/KOC (pH 7.4): 253.48
    Polar Surface Area: 115 Å2
    Polarizability: 32.0±0.5 10-24cm3
    Surface Tension: 55.1±5.0 dyne/cm
    Molar Volume: 254.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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