ChemSpider 2D Image | Methyl {7-hydroxy-2-[(6R)-6-hydroxyheptyl]-4-oxo-4H-chromen-5-yl}acetate | C19H24O6

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

  • Molecular FormulaC19H24O6
  • Average mass348.390 Da
  • Monoisotopic mass348.157288 Da
  • ChemSpider ID31142968

  • 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 de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-5-acetic acid, 7-hydroxy-2-[(6R)-6-hydroxyheptyl]-4-oxo-, methyl ester [ACD/Index Name]
Methyl {7-hydroxy-2-[(6R)-6-hydroxyheptyl]-4-oxo-4H-chromen-5-yl}acetate [ACD/IUPAC Name]
Methyl-{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: 540.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 191.0±23.6 °C
Index of Refraction: 1.557
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.19
ACD/KOC (pH 5.5): 541.20
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 9.52
ACD/KOC (pH 7.4): 109.18
Polar Surface Area: 93 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 284.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement