ChemSpider 2D Image | (5xi)-12-Hydroxypodocarpa-8(14),9(11),12-trien-16-oic acid | C17H22O3

(5ξ)-12-Hydroxypodocarpa-8(14),9(11),12-trien-16-oic acid

  • Molecular FormulaC17H22O3
  • Average mass274.355 Da
  • Monoisotopic mass274.156891 Da
  • ChemSpider ID28945024

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5ξ)-12-Hydroxypodocarpa-8(14),9(11),12-trien-16-oic acid [ACD/IUPAC Name]
(5ξ)-12-Hydroxypodocarpa-8(14),9(11),12-trien-16-säure [German] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-, (1S,4aS)- [ACD/Index Name]
Acide (5ξ)-12-hydroxypodocarpa-8(14),9(11),12-trién-16-oïque [French] [ACD/IUPAC Name]
(1S,4aS)-6-hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
(1S,4aS)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
1217547-90-4 [RN]
Compound AC-542/20643006
Podocarpic Acid

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 449.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.6±3.0 kJ/mol
    Flash Point: 239.8±25.2 °C
    Index of Refraction: 1.576
    Molar Refractivity: 76.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.27
    ACD/LogD (pH 5.5): 3.33
    ACD/BCF (pH 5.5): 121.30
    ACD/KOC (pH 5.5): 592.62
    ACD/LogD (pH 7.4): 1.53
    ACD/BCF (pH 7.4): 1.91
    ACD/KOC (pH 7.4): 9.32
    Polar Surface Area: 58 Å2
    Polarizability: 30.4±0.5 10-24cm3
    Surface Tension: 48.2±3.0 dyne/cm
    Molar Volume: 232.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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