ChemSpider 2D Image | 5-[2-(2-Carboxyethyl)-3-{6-[(4-oxo-8-propyl-3,4-dihydro-2H-chromen-7-yl)oxy]hexyl}phenoxy]pentanoic acid | C32H42O8

5-[2-(2-Carboxyethyl)-3-{6-[(4-oxo-8-propyl-3,4-dihydro-2H-chromen-7-yl)oxy]hexyl}phenoxy]pentanoic acid

  • Molecular FormulaC32H42O8
  • Average mass554.671 Da
  • Monoisotopic mass554.287964 Da
  • ChemSpider ID8026356

More details:

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

5-[2-(2-Carboxyethyl)-3-{6-[(4-oxo-8-propyl-3,4-dihydro-2H-chromen-7-yl)oxy]hexyl}phenoxy]pentanoic acid [ACD/IUPAC Name]
5-[2-(2-Carboxyethyl)-3-{6-[(4-oxo-8-propyl-3,4-dihydro-2H-chromen-7-yl)oxy]hexyl}phenoxy]pentansäure [German] [ACD/IUPAC Name]
Acide 5-[2-(2-carboxyéthyl)-3-{6-[(4-oxo-8-propyl-3,4-dihydro-2H-chromén-7-yl)oxy]hexyl}phénoxy]pentanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2-(4-carboxybutoxy)-6-[6-[(3,4-dihydro-4-oxo-8-propyl-2H-1-benzopyran-7-yl)oxy]hexyl]- [ACD/Index Name]
5-{2-(2-Carboxy-ethyl)-3-[6-(4-oxo-8-propyl-chroman-7-yloxy)-hexyl]-phenoxy}-pentanoic acid
Ro-25-3562

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

Density: 1.2±0.1 g/cm3
Boiling Point: 773.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 246.1±26.4 °C
Index of Refraction: 1.558
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 7.69
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 1417.16
ACD/KOC (pH 5.5): 2083.17
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 1.57
ACD/KOC (pH 7.4): 2.31
Polar Surface Area: 119 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 469.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement