ChemSpider 2D Image | (2E,4S,6E)-4-Hydroxy-8-(4-hydroxy-6-methoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-2,6-dimethyl-2,6-octadienoic acid | C19H22O7

(2E,4S,6E)-4-Hydroxy-8-(4-hydroxy-6-methoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-2,6-dimethyl-2,6-octadienoic acid

  • Molecular FormulaC19H22O7
  • Average mass362.374 Da
  • Monoisotopic mass362.136566 Da
  • ChemSpider ID78441802

  • 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,4S,6E)-4-Hydroxy-8-(4-hydroxy-6-methoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-2,6-dimethyl-2,6-octadienoic acid [ACD/IUPAC Name]
(2E,4S,6E)-4-Hydroxy-8-(4-hydroxy-6-methoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-2,6-dimethyl-2,6-octadiensäure [German] [ACD/IUPAC Name]
2,6-Octadienoic acid, 8-(1,3-dihydro-4-hydroxy-6-methoxy-1-oxo-5-isobenzofuranyl)-4-hydroxy-2,6-dimethyl-, (2E,4S,6E)- [ACD/Index Name]
Acide (2E,4S,6E)-4-hydroxy-8-(4-hydroxy-6-méthoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-2,6-diméthyl-2,6-octadiénoïque [French] [ACD/IUPAC Name]
Erinaceolactone 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: 680.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 245.3±25.0 °C
Index of Refraction: 1.602
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 3.36
ACD/KOC (pH 5.5): 41.28
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 272.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement