ChemSpider 2D Image | ircinolin A | C21H34O6

ircinolin A

  • Molecular FormulaC21H34O6
  • Average mass382.491 Da
  • Monoisotopic mass382.235535 Da
  • ChemSpider ID26618407

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5S)-5-Methyl-5-[(1R,4E,6S,8E)-1,6,14-trihydroxy-4,8-dimethyl-13-oxo-4,8-tetradecadien-1-yl]dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-Methyl-5-[(1R,4E,6S,8E)-1,6,14-trihydroxy-4,8-dimethyl-13-oxo-4,8-tetradecadien-1-yl]dihydro-2(3H)-furanone [ACD/IUPAC Name]
(5S)-5-Méthyl-5-[(1R,4E,6S,8E)-1,6,14-trihydroxy-4,8-diméthyl-13-oxo-4,8-tétradécadién-1-yl]dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-5-methyl-5-[(1R,4E,6S,8E)-1,6,14-trihydroxy-4,8-dimethyl-13-oxo-4,8-tetradecadien-1-yl]-, (5S)- [ACD/Index Name]
ircinolin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 610.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.9±6.0 kJ/mol
Flash Point: 208.6±25.0 °C
Index of Refraction: 1.523
Molar Refractivity: 103.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.06
ACD/KOC (pH 5.5): 181.72
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.06
ACD/KOC (pH 7.4): 181.72
Polar Surface Area: 104 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 338.2±3.0 cm3

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