ChemSpider 2D Image | Actinopyrone C | C26H38O4

Actinopyrone C

  • Molecular FormulaC26H38O4
  • Average mass414.578 Da
  • Monoisotopic mass414.277008 Da
  • ChemSpider ID27023217

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Ethyl-6-[(2E,5E,7E,9R,10S,11Z)-10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-2-methoxy-5-methyl-4H-pyran-4-on [German] [ACD/IUPAC Name]
3-Ethyl-6-[(2E,5E,7E,9R,10S,11Z)-10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-2-methoxy-5-methyl-4H-pyran-4-one [ACD/IUPAC Name]
3-Éthyl-6-[(2E,5E,7E,9R,10S,11Z)-10-hydroxy-3,7,9,11-tétraméthyl-2,5,7,11-tridécatétraén-1-yl]-2-méthoxy-5-méthyl-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 3-ethyl-6-[(2E,5E,7E,9R,10S,11Z)-10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-2-methoxy-5-methyl- [ACD/Index Name]
Actinopyrone C

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

Density: 1.0±0.1 g/cm3
Boiling Point: 580.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 187.7±23.6 °C
Index of Refraction: 1.525
Molar Refractivity: 123.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14566.23
ACD/KOC (pH 5.5): 33243.89
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14566.23
ACD/KOC (pH 7.4): 33243.89
Polar Surface Area: 56 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 38.2±5.0 dyne/cm
Molar Volume: 402.4±5.0 cm3

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