ChemSpider 2D Image | 4-Aminophenyl b-D-thioglucopyranoside | C12H17NO5S

4-Aminophenyl b-D-thioglucopyranoside

  • Molecular FormulaC12H17NO5S
  • Average mass287.332 Da
  • Monoisotopic mass287.082733 Da
  • ChemSpider ID26324526

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-2-((4-Aminophenyl)thio)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
1-Thio-β-D-glucopyranoside de 4-aminophényle [French] [ACD/IUPAC Name]
4-Aminophenyl 1-thio-β-D-glucopyranoside [ACD/IUPAC Name]
4-Aminophenyl b-D-thioglucopyranoside
4-Aminophenyl-1-thio-β-D-glucopyranosid [German] [ACD/IUPAC Name]
58737-22-7 [RN]
β-D-Glucopyranoside, 4-aminophenyl 1-thio- [ACD/Index Name]
[58737-22-7] [RN]
210049-19-7 [RN]
29558-05-2 [RN]
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 586.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 92.1±3.0 kJ/mol
    Flash Point: 308.5±30.1 °C
    Index of Refraction: 1.698
    Molar Refractivity: 71.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 6
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: -1.94
    ACD/LogD (pH 5.5): -1.39
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.11
    ACD/LogD (pH 7.4): -1.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.25
    Polar Surface Area: 141 Å2
    Polarizability: 28.5±0.5 10-24cm3
    Surface Tension: 89.3±5.0 dyne/cm
    Molar Volume: 186.4±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement