ChemSpider 2D Image | (2E,6E)-8-[4,6-Dihydroxy-2-(2-hydroxyethyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-2,6-dimethyl-2,6-octadienoic acid | C20H25NO6

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

  • Molecular FormulaC20H25NO6
  • Average mass375.416 Da
  • Monoisotopic mass375.168182 Da
  • ChemSpider ID58969044

  • 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-2-(2-hydroxyethyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-2,6-dimethyl-2,6-octadienoic acid [ACD/IUPAC Name]
(2E,6E)-8-[4,6-Dihydroxy-2-(2-hydroxyethyl)-1-oxo-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-2-(2-hydroxyethyl)-1-oxo-1H-isoindol-5-yl]-2,6-dimethyl-, (2E,6E)- [ACD/Index Name]
Acide (2E,6E)-8-[4,6-dihydroxy-2-(2-hydroxyéthyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-2,6-diméthyl-2,6-octadiénoïque [French] [ACD/IUPAC Name]
Erinacerin D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.8±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 42.51
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 284.4±3.0 cm3

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