ChemSpider 2D Image | 5-Galloyl quinic acid | C14H16O10

5-Galloyl quinic acid

  • Molecular FormulaC14H16O10
  • Average mass344.271 Da
  • Monoisotopic mass344.074341 Da
  • ChemSpider ID57257114

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3R,4S,5R)-1,3,4-Trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,3R,4S,5R)-1,3,4-Trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid [ACD/IUPAC Name]
53584-43-3 [RN]
5-Galloyl quinic acid
Acide (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, (1R,2S,3R,5R)-5-carboxy-2,3,5-trihydroxycyclohexyl ester [ACD/Index Name]
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
3,?4,?5-?trihydroxy-?Benzoic acid, (1R,?2S,?3R,?5R)?-?5-?carboxy-?2,?3,?5-?trihydroxycyclohexyl ester
473258-34-3 [RN]
5-Galloylquinic acid

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 754.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 115.4±3.0 kJ/mol
    Flash Point: 283.0±26.4 °C
    Index of Refraction: 1.733
    Molar Refractivity: 74.4±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 7
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: -0.01
    ACD/LogD (pH 5.5): -2.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 185 Å2
    Polarizability: 29.5±0.5 10-24cm3
    Surface Tension: 131.8±5.0 dyne/cm
    Molar Volume: 185.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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