Found 2 results

Search term: XLOJLWAYOTYURW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6R,7R)-7-Hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-6-yl 3,6-dihydroxy-4-methoxy-2-methylbenzoate | C22H24O8

(6R,7R)-7-Hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-6-yl 3,6-dihydroxy-4-methoxy-2-methylbenzoate

  • Molecular FormulaC22H24O8
  • Average mass416.421 Da
  • Monoisotopic mass416.147125 Da
  • ChemSpider ID22912688

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,7R)-7-Hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-6-yl 3,6-dihydroxy-4-methoxy-2-methylbenzoate [ACD/IUPAC Name]
(6R,7R)-7-Hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-6-yl-3,6-dihydroxy-4-methoxy-2-methylbenzoat [German] [ACD/IUPAC Name]
3,6-Dihydroxy-4-méthoxy-2-méthylbenzoate de (6R,7R)-7-hydroxy-7-méthyl-8-oxo-3-[(1E)-1-propén-1-yl]-5,6,7,8-tétrahydro-1H-isochromén-6-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,6-dihydroxy-4-methoxy-2-methyl-, (6R,7R)-5,6,7,8-tetrahydro-7-hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-6-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 235.6±25.0 °C
Index of Refraction: 1.631
Molar Refractivity: 105.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.49
ACD/KOC (pH 5.5): 915.97
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 84.26
ACD/KOC (pH 7.4): 799.81
Polar Surface Area: 123 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 296.9±5.0 cm3

Click to predict properties on the Chemicalize site


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