ChemSpider 2D Image | 2,3-Dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyl-2,5,7,11-tetradecatetraen-1-yl]-5-methyl-4-pyridinol | C27H41NO4

2,3-Dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyl-2,5,7,11-tetradecatetraen-1-yl]-5-methyl-4-pyridinol

  • Molecular FormulaC27H41NO4
  • Average mass443.619 Da
  • Monoisotopic mass443.303558 Da
  • ChemSpider ID24604035

  • 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

2,3-Dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyl-2,5,7,11-tetradecatetraen-1-yl]-5-methyl-4-pyridinol [ACD/IUPAC Name]
2,3-Dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyl-2,5,7,11-tetradecatetraen-1-yl]-5-methyl-4-pyridinol [German] [ACD/IUPAC Name]
2,3-Diméthoxy-6-[(2E,5E,7E,9R,10R,11E)-10-méthoxy-3,7,9,11-tétraméthyl-2,5,7,11-tétradécatétraén-1-yl]-5-méthyl-4-pyridinol [French] [ACD/IUPAC Name]
4-Pyridinol, 2,3-dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyl-2,5,7,11-tetradecatetraen-1-yl]-5-methyl- [ACD/Index Name]
Piericidin B5

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

Density: 1.0±0.1 g/cm3
Boiling Point: 604.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 319.4±31.5 °C
Index of Refraction: 1.522
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 169.00
ACD/KOC (pH 5.5): 423.58
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 218.70
ACD/KOC (pH 7.4): 548.15
Polar Surface Area: 61 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 439.8±3.0 cm3

Click to predict properties on the Chemicalize site


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