Found 1 result

Search term: 16934-09-1 (Found by approved synonym)
ChemSpider 2D Image | 5-Bromo-1H-indol-3-yl beta-D-glucopyranoside | C14H16BrNO6

5-Bromo-1H-indol-3-yl β-D-glucopyranoside

  • Molecular FormulaC14H16BrNO6
  • Average mass374.184 Da
  • Monoisotopic mass373.016083 Da
  • ChemSpider ID26499909

  • 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-((5-Bromo-1H-indol-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
16934-09-1 [RN]
5-Brom-1H-indol-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
5-Bromo-1H-indol-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranoside de 5-bromo-1H-indol-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-bromo-1H-indol-3-yl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[(5-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-[(5-bromo-1h-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
[16934-09-1] [RN]
5-Bromo-1H-indol-3-ylbeta-D-glucopyranoside
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 646.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.2±3.0 kJ/mol
    Flash Point: 344.9±31.5 °C
    Index of Refraction: 1.731
    Molar Refractivity: 81.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 5
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 0.11
    ACD/LogD (pH 5.5): 0.56
    ACD/BCF (pH 5.5): 1.58
    ACD/KOC (pH 5.5): 48.29
    ACD/LogD (pH 7.4): 0.56
    ACD/BCF (pH 7.4): 1.58
    ACD/KOC (pH 7.4): 48.29
    Polar Surface Area: 115 Å2
    Polarizability: 32.5±0.5 10-24cm3
    Surface Tension: 78.8±3.0 dyne/cm
    Molar Volume: 205.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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