ChemSpider 2D Image | 6-{(1E,3E,5E,7E)-8-[(2R,3S,4R,5R)-5-Ethyl-4-hydroxy-2-methoxy-3,4-dimethyltetrahydro-3-furanyl]-1,3,5,7-octatetraen-1-yl}-4-methoxy-5-methyl-2H-pyran-2-one | C24H32O6

6-{(1E,3E,5E,7E)-8-[(2R,3S,4R,5R)-5-Ethyl-4-hydroxy-2-methoxy-3,4-dimethyltetrahydro-3-furanyl]-1,3,5,7-octatetraen-1-yl}-4-methoxy-5-methyl-2H-pyran-2-one

  • Molecular FormulaC24H32O6
  • Average mass416.507 Da
  • Monoisotopic mass416.219879 Da
  • ChemSpider ID44210925

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2H-Pyran-2-one, 6-[(1E,3E,5E,7E)-8-[(2R,3S,4R,5R)-5-ethyltetrahydro-4-hydroxy-2-methoxy-3,4-dimethyl-3-furanyl]-1,3,5,7-octatetraen-1-yl]-4-methoxy-5-methyl- [ACD/Index Name]
6-{(1E,3E,5E,7E)-8-[(2R,3S,4R,5R)-5-Ethyl-4-hydroxy-2-methoxy-3,4-dimethyltetrahydro-3-furanyl]-1,3,5,7-octatetraen-1-yl}-4-methoxy-5-methyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-{(1E,3E,5E,7E)-8-[(2R,3S,4R,5R)-5-Ethyl-4-hydroxy-2-methoxy-3,4-dimethyltetrahydro-3-furanyl]-1,3,5,7-octatetraen-1-yl}-4-methoxy-5-methyl-2H-pyran-2-one [ACD/IUPAC Name]
6-{(1E,3E,5E,7E)-8-[(2R,3S,4R,5R)-5-Éthyl-4-hydroxy-2-méthoxy-3,4-diméthyltétrahydro-3-furanyl]-1,3,5,7-octatétraén-1-yl}-4-méthoxy-5-méthyl-2H-pyran-2-one [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 598.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 200.2±23.6 °C
Index of Refraction: 1.551
Molar Refractivity: 116.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 246.21
ACD/KOC (pH 5.5): 1791.84
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 246.21
ACD/KOC (pH 7.4): 1791.84
Polar Surface Area: 74 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 364.8±5.0 cm3

Click to predict properties on the Chemicalize site


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