ChemSpider 2D Image | IROMYCIN A | C19H29NO2

IROMYCIN A

  • Molecular FormulaC19H29NO2
  • Average mass303.439 Da
  • Monoisotopic mass303.219818 Da
  • ChemSpider ID23324138

  • Double-bond stereo - Double-bond stereo

More details:

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Natural Product Updates

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2(1H)-Pyridinone, 6-[(2E,5E)-3,7-dimethyl-2,5-octadien-1-yl]-4-hydroxy-3-methyl-5-propyl- [ACD/Index Name]
213137-53-2 [RN]
6-[(2E,5E)-3,7-Dimethyl-2,5-octadien-1-yl]-4-hydroxy-3-methyl-5-propyl-2(1H)-pyridinon [German] [ACD/IUPAC Name]
6-[(2E,5E)-3,7-Dimethyl-2,5-octadien-1-yl]-4-hydroxy-3-methyl-5-propyl-2(1H)-pyridinone [ACD/IUPAC Name]
6-[(2E,5E)-3,7-Diméthyl-2,5-octadién-1-yl]-4-hydroxy-3-méthyl-5-propyl-2(1H)-pyridinone [French] [ACD/IUPAC Name]
6-[(2E,5E)-3,7-dimethylocta-2,5-dien-1-yl]-4-hydroxy-3-methyl-5-propylpyridin-2(1H)-one
IROMYCIN A
6-((2E,5E)-3,7-dimethylocta-2,5-dienyl)-4-hydroxy-3-methyl-5-propylpyridin-2(1H)-one
6-[(2E,5E)-3,7-dimethylocta-2,5-dienyl]-4-hydroxy-3-methyl-5-propyl-1H-pyridin-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL270860/
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 460.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 83.2±6.0 kJ/mol
    Flash Point: 232.5±28.7 °C
    Index of Refraction: 1.516
    Molar Refractivity: 92.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.72
    ACD/LogD (pH 5.5): 3.33
    ACD/BCF (pH 5.5): 120.50
    ACD/KOC (pH 5.5): 587.18
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 2.27
    ACD/KOC (pH 7.4): 11.08
    Polar Surface Area: 49 Å2
    Polarizability: 36.6±0.5 10-24cm3
    Surface Tension: 34.7±3.0 dyne/cm
    Molar Volume: 305.6±3.0 cm3

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