ChemSpider 2D Image | confluentic acid | C28H36O8

confluentic acid

  • Molecular FormulaC28H36O8
  • Average mass500.581 Da
  • Monoisotopic mass500.241028 Da
  • ChemSpider ID89998

More details:

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

4-{[2-Hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy}-2-methoxy-6-pentylbenzoesäure [German] [ACD/IUPAC Name]
4-{[2-Hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy}-2-methoxy-6-pentylbenzoic acid [ACD/IUPAC Name]
6009-12-7 [RN]
Acide 4-{[2-hydroxy-4-méthoxy-6-(2-oxoheptyl)benzoyl]oxy}-2-méthoxy-6-pentylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-4-methoxy-6-(2-oxoheptyl)-, 4-carboxy-3-methoxy-5-pentylphenyl ester [ACD/Index Name]
confluentic acid
[6009-12-7] [RN]
2-HYDROXY-4-METHOXY-6-(2-OXOHEPTYL)BENZOIC ACID, 4-CARBOXY-3-METHOXY-5-PENTYLPHENYL ESTER
4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-2-methoxy-6-pentylbenzoic acid
4-[2-HYDROXY-4-METHOXY-6-(2-OXOHEPTYL)BENZOYLOXY]-2-METHOXY-6-PENTYLBENZOIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6009127 [DBID]
NSC249982 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 651.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.9±3.0 kJ/mol
    Flash Point: 209.4±25.0 °C
    Index of Refraction: 1.552
    Molar Refractivity: 136.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 16
    #Rule of 5 Violations: 2
    ACD/LogP: 7.68
    ACD/LogD (pH 5.5): 5.85
    ACD/BCF (pH 5.5): 6641.87
    ACD/KOC (pH 5.5): 6521.63
    ACD/LogD (pH 7.4): 4.06
    ACD/BCF (pH 7.4): 108.89
    ACD/KOC (pH 7.4): 106.92
    Polar Surface Area: 119 Å2
    Polarizability: 54.0±0.5 10-24cm3
    Surface Tension: 46.1±3.0 dyne/cm
    Molar Volume: 426.6±3.0 cm3

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