ChemSpider 2D Image | (+)-usnic acid | C18H16O7

(+)-usnic acid

  • Molecular FormulaC18H16O7
  • Average mass344.315 Da
  • Monoisotopic mass344.089600 Da
  • ChemSpider ID21169494

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-usnic acid
(9bR)-2,6-Diacetyl-1,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-3(9bH)-on [German] [ACD/IUPAC Name]
(9bR)-2,6-Diacetyl-1,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-3(9bH)-one [ACD/IUPAC Name]
(9bR)-2,6-Diacétyl-1,7,9-trihydroxy-8,9b-diméthyldibenzo[b,d]furan-3(9bH)-one [French] [ACD/IUPAC Name]
3(9bH)-Dibenzofuranone, 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-, (9bR)- [ACD/Index Name]
7562-61-0 [RN]
D-Usnic acid
Usnic acid [Wiki]
(-)-Usnic acid
(+)-Usniacin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

329967_ALDRICH [DBID]
94480_FLUKA [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 638.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.7±3.0 kJ/mol
    Flash Point: 236.0±25.0 °C
    Index of Refraction: 1.679
    Molar Refractivity: 84.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.30
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 1.70
    ACD/KOC (pH 5.5): 24.56
    ACD/LogD (pH 7.4): -1.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 33.3±0.5 10-24cm3
    Surface Tension: 78.9±5.0 dyne/cm
    Molar Volume: 222.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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