ChemSpider 2D Image | Methyl 2-{[(3S)-5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-yl]oxy}-4-methoxy-3-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-6-methylbenzoate | C24H24O11

Methyl 2-{[(3S)-5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-yl]oxy}-4-methoxy-3-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-6-methylbenzoate

  • Molecular FormulaC24H24O11
  • Average mass488.441 Da
  • Monoisotopic mass488.131866 Da
  • ChemSpider ID76803373

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{[(3S)-5,7-Dihydroxy-3-méthoxy-6-méthyl-1-oxo-1,3-dihydro-2-benzofuran-4-yl]oxy}-4-méthoxy-3-[(1E)-3-méthoxy-3-oxo-1-propén-1-yl]-6-méthylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(3S)-1,3-dihydro-5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-4-isobenzofuranyl]oxy]-4-methoxy-3-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-6-methyl-, methyl ester [ACD/Index Name]
Methyl 2-{[(3S)-5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-yl]oxy}-4-methoxy-3-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-6-methylbenzoate [ACD/IUPAC Name]
Methyl-2-{[(3S)-5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-yl]oxy}-4-methoxy-3-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-6-methylbenzoat [German] [ACD/IUPAC Name]
Lobariether E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 663.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 224.3±25.0 °C
Index of Refraction: 1.619
Molar Refractivity: 118.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 176.20
ACD/KOC (pH 5.5): 1387.33
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 32.74
ACD/KOC (pH 7.4): 257.82
Polar Surface Area: 147 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 338.3±5.0 cm3

Click to predict properties on the Chemicalize site


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