ChemSpider 2D Image | 4-(5-{1-[3-Hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-methoxy-3-oxopropyl}-2-furyl)benzoic acid | C22H20O9

4-(5-{1-[3-Hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-methoxy-3-oxopropyl}-2-furyl)benzoic acid

  • Molecular FormulaC22H20O9
  • Average mass428.389 Da
  • Monoisotopic mass428.110718 Da
  • ChemSpider ID29771143

More details:

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

4-(5-{1-[3-Hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-methoxy-3-oxopropyl}-2-furyl)benzoesäure [German] [ACD/IUPAC Name]
4-(5-{1-[3-Hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-methoxy-3-oxopropyl}-2-furyl)benzoic acid [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, β-[5-(4-carboxyphenyl)-2-furanyl]-3-hydroxy-6-(methoxymethyl)-4-oxo-, α-methyl ester [ACD/Index Name]
Acide 4-(5-{1-[3-hydroxy-6-(méthoxyméthyl)-4-oxo-4H-pyran-2-yl]-3-méthoxy-3-oxopropyl}-2-furyl)benzoïque [French] [ACD/IUPAC Name]
1574484-52-8 [RN]
4-(5-(1-(3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl)furan-2-yl)benzoic acid
4-(5-{1-[3-HYDROXY-6-(METHOXYMETHYL)-4-OXO-4H-PYRAN-2-YL]-3-METHOXY-3-OXOPROPYL}FURAN-2-YL)BENZOIC ACID
4-(5-{1-[3-HYDROXY-6-(METHOXYMETHYL)-4-OXOPYRAN-2-YL]-3-METHOXY-3-OXOPROPYL}FURAN-2-YL)BENZOIC ACID
4-[5-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-methoxy-3-oxopropyl]furan-2-yl]benzoic acid
MCULE-9466532756
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 634.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.6±3.0 kJ/mol
    Flash Point: 337.7±31.5 °C
    Index of Refraction: 1.599
    Molar Refractivity: 105.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.06
    ACD/LogD (pH 5.5): 1.39
    ACD/BCF (pH 5.5): 3.27
    ACD/KOC (pH 5.5): 34.32
    ACD/LogD (pH 7.4): -0.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 133 Å2
    Polarizability: 41.8±0.5 10-24cm3
    Surface Tension: 58.7±3.0 dyne/cm
    Molar Volume: 308.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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