ChemSpider 2D Image | PROPOFOL GLUCURONIDE | C18H26O7

PROPOFOL GLUCURONIDE

  • Molecular FormulaC18H26O7
  • Average mass354.395 Da
  • Monoisotopic mass354.167847 Da
  • ChemSpider ID26324521

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

114991-26-3 [RN]
2,6-Diisopropylphenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
2,6-Diisopropylphenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 2,6-diisopropylphényle [French] [ACD/IUPAC Name]
PROPOFOL GLUCURONIDE
Propofol β-D-Glucuronide
Propofol β-D-Glucuronide
β-D-Glucopyranosiduronic acid, 2,6-bis(1-methylethyl)phenyl [ACD/Index Name]
(2S,3S,4S,5R,6S)-6-(2,6-diisopropylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-6-[2,6-bis(propan-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

79NPJ6GX2W [DBID]
UNII:79NPJ6GX2W [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 562.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.0±3.0 kJ/mol
    Flash Point: 199.8±23.6 °C
    Index of Refraction: 1.582
    Molar Refractivity: 90.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.85
    ACD/LogD (pH 5.5): -1.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.36
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 116 Å2
    Polarizability: 35.8±0.5 10-24cm3
    Surface Tension: 59.6±3.0 dyne/cm
    Molar Volume: 270.3±3.0 cm3

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