ChemSpider 2D Image | Alectoronic acid | C28H32O9

Alectoronic acid

  • Molecular FormulaC28H32O9
  • Average mass512.548 Da
  • Monoisotopic mass512.204651 Da
  • ChemSpider ID103875578

More details:

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

2,5,11-Trihydroxy-9-(2-oxoheptyl)-2-pentyl-1,2-dihydro-4H,8H-isochromeno[5,6-b][1,4]benzodioxepin-4,8-dion [German] [ACD/IUPAC Name]
2,5,11-Trihydroxy-9-(2-oxoheptyl)-2-pentyl-1,2-dihydro-4H,8H-isochromeno[5,6-b][1,4]benzodioxepine-4,8-dione [ACD/IUPAC Name]
2,5,11-Trihydroxy-9-(2-oxoheptyl)-2-pentyl-1,2-dihydro-4H,8H-isochroméno[5,6-b][1,4]benzodioxépine-4,8-dione [French] [ACD/IUPAC Name]
4H,8H-3,7,13-Trioxabenzo[5,6]cyclohepta[1,2-a]naphthalene-4,8-dione, 1,2-dihydro-2,5,11-trihydroxy-9-(2-oxoheptyl)-2-pentyl- [ACD/Index Name]
54226-87-8 [RN]
Alectoronic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 767.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 255.1±26.4 °C
Index of Refraction: 1.596
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19207.66
ACD/KOC (pH 5.5): 40406.57
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 10603.09
ACD/KOC (pH 7.4): 22305.41
Polar Surface Area: 140 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 388.6±3.0 cm3

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