ChemSpider 2D Image | 1-PYRENYL B-D-GLUCURONIDE | C22H18O7

1-PYRENYL B-D-GLUCURONIDE

  • Molecular FormulaC22H18O7
  • Average mass394.374 Da
  • Monoisotopic mass394.105255 Da
  • ChemSpider ID30778475

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

154717-05-2 [RN]
1-Hydroxypyrene glucuronide
1-PYRENYL B-D-GLUCURONIDE
1-Pyrenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
1-Pyrenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 1-pyrényle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 1-pyrenyl [ACD/Index Name]
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(pyren-1-yloxy)oxane-2-carboxylic acid
[154717-05-2] [RN]
1-Hydroxypyrene b-D-glucuronide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 719.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.3±3.0 kJ/mol
    Flash Point: 259.6±26.4 °C
    Index of Refraction: 1.846
    Molar Refractivity: 108.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.12
    ACD/LogD (pH 5.5): -0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.76
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 116 Å2
    Polarizability: 42.8±0.5 10-24cm3
    Surface Tension: 98.4±3.0 dyne/cm
    Molar Volume: 242.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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