ChemSpider 2D Image | (2E,6E)-8-[4,6-Dihydroxy-1-oxo-2-(2-phenylethyl)-2,3-dihydro-1H-isoindol-5-yl]-2,6-dimethyl-2,6-octadienoic acid | C26H29NO5

(2E,6E)-8-[4,6-Dihydroxy-1-oxo-2-(2-phenylethyl)-2,3-dihydro-1H-isoindol-5-yl]-2,6-dimethyl-2,6-octadienoic acid

  • Molecular FormulaC26H29NO5
  • Average mass435.512 Da
  • Monoisotopic mass435.204559 Da
  • ChemSpider ID78435092

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6E)-8-[4,6-Dihydroxy-1-oxo-2-(2-phenylethyl)-2,3-dihydro-1H-isoindol-5-yl]-2,6-dimethyl-2,6-octadienoic acid [ACD/IUPAC Name]
(2E,6E)-8-[4,6-Dihydroxy-1-oxo-2-(2-phenylethyl)-2,3-dihydro-1H-isoindol-5-yl]-2,6-dimethyl-2,6-octadiensäure [German] [ACD/IUPAC Name]
2,6-Octadienoic acid, 8-[2,3-dihydro-4,6-dihydroxy-1-oxo-2-(2-phenylethyl)-1H-isoindol-5-yl]-2,6-dimethyl-, (2E,6E)- [ACD/Index Name]
Acide (2E,6E)-8-[4,6-dihydroxy-1-oxo-2-(2-phényléthyl)-2,3-dihydro-1H-isoindol-5-yl]-2,6-diméthyl-2,6-octadiénoïque [French] [ACD/IUPAC Name]
Erinacerin Q

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

Density: 1.3±0.1 g/cm3
Boiling Point: 720.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.7±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 138.00
ACD/KOC (pH 5.5): 785.44
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 12.69
Polar Surface Area: 98 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 347.5±3.0 cm3

Click to predict properties on the Chemicalize site


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