ChemSpider 2D Image | 2-[(2E,5E,7E,9R,10R,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-6-methoxy-3-methyl-4H-pyran-4-one | C24H34O4

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

  • Molecular FormulaC24H34O4
  • Average mass386.524 Da
  • Monoisotopic mass386.245697 Da
  • ChemSpider ID24690645

  • 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]-6-methoxy-3-methyl-4H-pyran-4-on [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]-6-methoxy-3-methyl-4H-pyran-4-one [ACD/IUPAC Name]
2-[(2E,5E,7E,9R,10R,11E)-10-Hydroxy-3,7,9,11-tétraméthyl-2,5,7,11-tridécatétraén-1-yl]-6-méthoxy-3-méthyl-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-6-methoxy-3-methyl- [ACD/Index Name]
Actinopyrone B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457994/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 562.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 186.2±23.6 °C
Index of Refraction: 1.530
Molar Refractivity: 114.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3009.78
ACD/KOC (pH 5.5): 10753.01
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3009.78
ACD/KOC (pH 7.4): 10753.01
Polar Surface Area: 56 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 38.8±5.0 dyne/cm
Molar Volume: 370.3±5.0 cm3

Click to predict properties on the Chemicalize site


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