ChemSpider 2D Image | p-Tolyl beta-D-thioglucopyranoside | C13H18O5S

p-Tolyl β-D-thioglucopyranoside

  • Molecular FormulaC13H18O5S
  • Average mass286.344 Da
  • Monoisotopic mass286.087494 Da
  • ChemSpider ID22905996

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol
1152-39-2 [RN]
1-Thio-β-D-glucopyranoside de 4-méthylphényle [French] [ACD/IUPAC Name]
4-Methylphenyl 1-thio-β-D-glucopyranoside [ACD/IUPAC Name]
4-Methylphenyl b-D-thioglucopyranoside
4-Methylphenyl-1-thio-β-D-glucopyranosid [German] [ACD/IUPAC Name]
MFCD11045365 [MDL number]
P-TOLYL 1-THIO-β-D-GLUCOPYRANOSIDE
p-Tolyl β-D-thioglucopyranoside
β-D-Glucopyranoside, 4-methylphenyl 1-thio- [ACD/Index Name]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 513.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.6±3.0 kJ/mol
    Flash Point: 264.2±30.1 °C
    Index of Refraction: 1.653
    Molar Refractivity: 72.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.10
    ACD/LogD (pH 5.5): -0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 19.16
    ACD/LogD (pH 7.4): -0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.16
    Polar Surface Area: 115 Å2
    Polarizability: 28.9±0.5 10-24cm3
    Surface Tension: 73.7±5.0 dyne/cm
    Molar Volume: 199.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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