ChemSpider 2D Image | 2-[(2E,5E,7E,9R,10R,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4(1H)-pyridinone | C25H37NO4

2-[(2E,5E,7E,9R,10R,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4(1H)-pyridinone

  • Molecular FormulaC25H37NO4
  • Average mass415.566 Da
  • Monoisotopic mass415.272247 Da
  • ChemSpider ID128948908

  • 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

2-[(2E,5E,7E,9R,10R,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4(1H)-pyridinon [German] [ACD/IUPAC Name]
2-[(2E,5E,7E,9R,10R,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4(1H)-pyridinone [ACD/IUPAC Name]
2-[(2E,5E,7E,9R,10R,11E)-10-Hydroxy-3,7,9,11-tétraméthyl-2,5,7,11-tridécatétraén-1-yl]-5,6-diméthoxy-3-méthyl-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl- [ACD/Index Name]
2738-64-9 [RN]
Piericidin 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: 591.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 311.6±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 122.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 491.06
ACD/KOC (pH 5.5): 2927.71
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 496.46
ACD/KOC (pH 7.4): 2959.93
Polar Surface Area: 68 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 39.7±5.0 dyne/cm
Molar Volume: 393.8±5.0 cm3

Click to predict properties on the Chemicalize site


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