ChemSpider 2D Image | 9-Hexyl-2-(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)-8-hydroxy-4-methyl-5H-chromeno[3,4-c]pyridin-5-one | C34H37NO6

9-Hexyl-2-(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)-8-hydroxy-4-methyl-5H-chromeno[3,4-c]pyridin-5-one

  • Molecular FormulaC34H37NO6
  • Average mass555.661 Da
  • Monoisotopic mass555.262085 Da
  • ChemSpider ID21539034

More details:

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

5H-[1]Benzopyrano[3,4-c]pyridin-5-one, 9-hexyl-2-(6-hexyl-7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-8-hydroxy-4-methyl- [ACD/Index Name]
9-Hexyl-2-(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)-8-hydroxy-4-methyl-5H-chromeno[3,4-c]pyridin-5-on [German] [ACD/IUPAC Name]
9-Hexyl-2-(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)-8-hydroxy-4-methyl-5H-chromeno[3,4-c]pyridin-5-one [ACD/IUPAC Name]
9-Hexyl-2-(6-hexyl-7-hydroxy-2-oxo-2H-chromén-3-yl)-8-hydroxy-4-méthyl-5H-chroméno[3,4-c]pyridin-5-one [French] [ACD/IUPAC Name]
9-HEXYL-2-(6-HEXYL-7-HYDROXY-2-OXOCHROMEN-3-YL)-8-HYDROXY-4-METHYLCHROMENO[3,4-C]PYRIDIN-5-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 777.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 424.2±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 156.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.31
ACD/LogD (pH 5.5): 9.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3171523.25
ACD/LogD (pH 7.4): 9.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1985028.25
Polar Surface Area: 106 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 447.5±3.0 cm3

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