ChemSpider 2D Image | Ethyl {7-hydroxy-2-[(6R)-6-hydroxyheptyl]-4-oxo-4H-chromen-5-yl}acetate | C20H26O6

Ethyl {7-hydroxy-2-[(6R)-6-hydroxyheptyl]-4-oxo-4H-chromen-5-yl}acetate

  • Molecular FormulaC20H26O6
  • Average mass362.417 Da
  • Monoisotopic mass362.172943 Da
  • ChemSpider ID31142967

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{7-Hydroxy-2-[(6R)-6-hydroxyheptyl]-4-oxo-4H-chromén-5-yl}acétate d'éthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-5-acetic acid, 7-hydroxy-2-[(6R)-6-hydroxyheptyl]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl {7-hydroxy-2-[(6R)-6-hydroxyheptyl]-4-oxo-4H-chromen-5-yl}acetate [ACD/IUPAC Name]
Ethyl-{7-hydroxy-2-[(6R)-6-hydroxyheptyl]-4-oxo-4H-chromen-5-yl}acetat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 549.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 191.5±23.6 °C
Index of Refraction: 1.553
Molar Refractivity: 96.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 101.62
ACD/KOC (pH 5.5): 939.95
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 24.33
ACD/KOC (pH 7.4): 225.02
Polar Surface Area: 93 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 300.8±3.0 cm3

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