ChemSpider 2D Image | 4-Methylphenyl 1-thio-alpha-D-mannopyranoside | C13H18O5S

4-Methylphenyl 1-thio-α-D-mannopyranoside

  • Molecular FormulaC13H18O5S
  • Average mass286.344 Da
  • Monoisotopic mass286.087494 Da
  • ChemSpider ID26232362

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Thio-α-D-mannopyranoside de 4-méthylphényle [French] [ACD/IUPAC Name]
4-Methylphenyl 1-thio-α-D-mannopyranoside [ACD/IUPAC Name]
4-Methylphenyl-1-thio-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside, 4-methylphenyl 1-thio- [ACD/Index Name]
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[(4-methylphenyl)sulfanyl]oxane-3,4,5-triol
457931-46-3 [RN]
4-Methylphenyl 1-thio-a-d-mannopyranoside
a-D-Mannopyranoside, 4-methylphenyl 1-thio-
MFCD15145063

    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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