ChemSpider 2D Image | Acetylsalicylic Acid Acyl-D-Glucuronide | C15H16O10

Acetylsalicylic Acid Acyl-D-Glucuronide

  • Molecular FormulaC15H16O10
  • Average mass356.281 Da
  • Monoisotopic mass356.074341 Da
  • ChemSpider ID32696852

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-(2-Acetoxybenzoyl)-β-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-(2-Acetoxybenzoyl)-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
24719-72-0 [RN]
Acetylsalicylic Acid Acyl-D-Glucuronide
Acide 1-O-(2-acétoxybenzoyl)-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-[2-(acetyloxy)benzoate] [ACD/Index Name]
(2S,3S,4S,5R,6S)-6-[2-(acetyloxy)benzoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(5?)-1-O-(2-Acetoxybenzoyl)-?-D-lyxo-hexopyranuronic acid
1-O-[2-(Acetyloxy)benzoyl]-β-D-glucopyranuronic acid
2-Acetylsalicylic acid acyl-b-D-glucuronide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 592.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.9±3.0 kJ/mol
    Flash Point: 219.5±23.6 °C
    Index of Refraction: 1.625
    Molar Refractivity: 78.0±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): -3.12
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 160 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 83.7±5.0 dyne/cm
    Molar Volume: 220.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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