ChemSpider 2D Image | 4-Hydroxy-3-[(6-hydroxy-1-oxo-3-pentyl-1H-isochromen-8-yl)oxy]-6-methoxy-2-pentylbenzoic acid | C27H32O8

4-Hydroxy-3-[(6-hydroxy-1-oxo-3-pentyl-1H-isochromen-8-yl)oxy]-6-methoxy-2-pentylbenzoic acid

  • Molecular FormulaC27H32O8
  • Average mass484.538 Da
  • Monoisotopic mass484.209717 Da
  • ChemSpider ID90615719

More details:

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

4-Hydroxy-3-[(6-hydroxy-1-oxo-3-pentyl-1H-isochromen-8-yl)oxy]-6-methoxy-2-pentylbenzoesäure [German] [ACD/IUPAC Name]
4-Hydroxy-3-[(6-hydroxy-1-oxo-3-pentyl-1H-isochromen-8-yl)oxy]-6-methoxy-2-pentylbenzoic acid [ACD/IUPAC Name]
Acide 4-hydroxy-3-[(6-hydroxy-1-oxo-3-pentyl-1H-isochromén-8-yl)oxy]-6-méthoxy-2-pentylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-3-[(6-hydroxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]-6-methoxy-2-pentyl- [ACD/Index Name]
4-Hydroxy-3-(6-hydroxy-1-oxo-3-pentylisochromen-8-yl)oxy-6-methoxy-2-pentylbenzoic acid
Compound NP-023973

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 215.3±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 130.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 7679.75
ACD/KOC (pH 5.5): 8256.58
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 79.27
ACD/KOC (pH 7.4): 85.22
Polar Surface Area: 123 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 388.5±3.0 cm3

Click to predict properties on the Chemicalize site


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