ChemSpider 2D Image | Undecyl 4-O-beta-D-glucopyranosyl-1-thio-beta-D-glucopyranoside | C23H44O10S

Undecyl 4-O-β-D-glucopyranosyl-1-thio-β-D-glucopyranoside

  • Molecular FormulaC23H44O10S
  • Average mass512.654 Da
  • Monoisotopic mass512.265503 Da
  • ChemSpider ID32696766

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-O-β-D-Glucopyranosyl-1-thio-β-D-glucopyranoside d'undécyle [French] [ACD/IUPAC Name]
Undecyl 4-O-β-D-glucopyranosyl-1-thio-β-D-glucopyranoside [ACD/IUPAC Name]
Undecyl-4-O-β-D-glucopyranosyl-1-thio-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, undecyl 4-O-β-D-glucopyranosyl-1-thio- [ACD/Index Name]
148565-57-5 [RN]
2-[[4,5-Dihydroxy-2-(hydroxymethyl)-6-(undecylthio)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MFCD09750651 [MDL number]
Undecyl 4-O-?-D-glucopyranosyl -1-thio-?-D-glucopyranoside
Undecyl b-D-thiomaltopyranoside

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 724.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.3 mmHg at 25°C
    Enthalpy of Vaporization: 120.8±6.0 kJ/mol
    Flash Point: 391.9±32.9 °C
    Index of Refraction: 1.576
    Molar Refractivity: 128.2±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 7
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: 2.74
    ACD/LogD (pH 5.5): 2.50
    ACD/BCF (pH 5.5): 47.14
    ACD/KOC (pH 5.5): 548.79
    ACD/LogD (pH 7.4): 2.50
    ACD/BCF (pH 7.4): 47.14
    ACD/KOC (pH 7.4): 548.78
    Polar Surface Area: 195 Å2
    Polarizability: 50.8±0.5 10-24cm3
    Surface Tension: 65.9±5.0 dyne/cm
    Molar Volume: 387.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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