ChemSpider 2D Image | (2E,6E)-9-[(5R)-5-(2,5-Dihydroxyphenyl)-5-methoxy-2-oxo-2,5-dihydro-3-furanyl]-2,6-dimethyl-2,6-nonadienoic acid | C22H26O7

(2E,6E)-9-[(5R)-5-(2,5-Dihydroxyphenyl)-5-methoxy-2-oxo-2,5-dihydro-3-furanyl]-2,6-dimethyl-2,6-nonadienoic acid

  • Molecular FormulaC22H26O7
  • Average mass402.438 Da
  • Monoisotopic mass402.167847 Da
  • ChemSpider ID78441718

  • 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-[(5R)-5-(2,5-Dihydroxyphenyl)-5-methoxy-2-oxo-2,5-dihydro-3-furanyl]-2,6-dimethyl-2,6-nonadienoic acid [ACD/IUPAC Name]
(2E,6E)-9-[(5R)-5-(2,5-Dihydroxyphenyl)-5-methoxy-2-oxo-2,5-dihydro-3-furanyl]-2,6-dimethyl-2,6-nonadiensäure [German] [ACD/IUPAC Name]
2,6-Nonadienoic acid, 9-[(5R)-5-(2,5-dihydroxyphenyl)-2,5-dihydro-5-methoxy-2-oxo-3-furanyl]-2,6-dimethyl-, (2E,6E)- [ACD/Index Name]
Acide (2E,6E)-9-[(5R)-5-(2,5-dihydroxyphényl)-5-méthoxy-2-oxo-2,5-dihydro-3-furanyl]-2,6-diméthyl-2,6-nonadiénoïque [French] [ACD/IUPAC Name]
(+)-ganotheaecolumol G

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 238.3±25.0 °C
Index of Refraction: 1.601
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 18.70
ACD/KOC (pH 5.5): 188.55
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.22
Polar Surface Area: 113 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 310.0±5.0 cm3

Click to predict properties on the Chemicalize site


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