ChemSpider 2D Image | (2E,6E)-9-[(5S)-5-(2,5-Dihydroxyphenyl)-5-methoxy-2-oxo-2,5-dihydro-3-furanyl]-2,6-dimethyl-2,6-nonadienal | C22H26O6

(2E,6E)-9-[(5S)-5-(2,5-Dihydroxyphenyl)-5-methoxy-2-oxo-2,5-dihydro-3-furanyl]-2,6-dimethyl-2,6-nonadienal

  • Molecular FormulaC22H26O6
  • Average mass386.438 Da
  • Monoisotopic mass386.172943 Da
  • ChemSpider ID78441721

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E,6E)-9-[(5S)-5-(2,5-Dihydroxyphenyl)-5-methoxy-2-oxo-2,5-dihydro-3-furanyl]-2,6-dimethyl-2,6-nonadienal [German] [ACD/IUPAC Name]
(2E,6E)-9-[(5S)-5-(2,5-Dihydroxyphenyl)-5-methoxy-2-oxo-2,5-dihydro-3-furanyl]-2,6-dimethyl-2,6-nonadienal [ACD/IUPAC Name]
(2E,6E)-9-[(5S)-5-(2,5-Dihydroxyphényl)-5-méthoxy-2-oxo-2,5-dihydro-3-furanyl]-2,6-diméthyl-2,6-nonadiénal [French] [ACD/IUPAC Name]
2,6-Nonadienal, 9-[(5S)-5-(2,5-dihydroxyphenyl)-2,5-dihydro-5-methoxy-2-oxo-3-furanyl]-2,6-dimethyl-, (2E,6E)- [ACD/Index Name]
(-)-ganotheaecolumol H

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 222.2±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.99
ACD/KOC (pH 5.5): 620.73
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.60
ACD/KOC (pH 7.4): 616.37
Polar Surface Area: 93 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 312.8±5.0 cm3

Click to predict properties on the Chemicalize site


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