ChemSpider 2D Image | (5R,6R)-5-Hydroxy-6-methyl-7-oxo-2-[(1E)-1-propen-1-yl]-4,5,6,7-tetrahydro-1-benzofuran-6-yl 2,4-dihydroxy-6-methylbenzoate | C20H20O7

(5R,6R)-5-Hydroxy-6-methyl-7-oxo-2-[(1E)-1-propen-1-yl]-4,5,6,7-tetrahydro-1-benzofuran-6-yl 2,4-dihydroxy-6-methylbenzoate

  • Molecular FormulaC20H20O7
  • Average mass372.369 Da
  • Monoisotopic mass372.120911 Da
  • ChemSpider ID35516989

  • 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

(5R,6R)-5-Hydroxy-6-methyl-7-oxo-2-[(1E)-1-propen-1-yl]-4,5,6,7-tetrahydro-1-benzofuran-6-yl 2,4-dihydroxy-6-methylbenzoate [ACD/IUPAC Name]
(5R,6R)-5-Hydroxy-6-methyl-7-oxo-2-[(1E)-1-propen-1-yl]-4,5,6,7-tetrahydro-1-benzofuran-6-yl-2,4-dihydroxy-6-methylbenzoat [German] [ACD/IUPAC Name]
2,4-Dihydroxy-6-méthylbenzoate de (5R,6R)-5-hydroxy-6-méthyl-7-oxo-2-[(1E)-1-propén-1-yl]-4,5,6,7-tétrahydro-1-benzofuran-6-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-6-methyl-, (5R,6R)-4,5,6,7-tetrahydro-5-hydroxy-6-methyl-7-oxo-2-[(1E)-1-propen-1-yl]-6-benzofuranyl ester [ACD/Index Name]
Aspergifuranone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.1±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 94.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 686.32
ACD/KOC (pH 5.5): 3718.39
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 333.27
ACD/KOC (pH 7.4): 1805.58
Polar Surface Area: 117 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 261.3±5.0 cm3

Click to predict properties on the Chemicalize site


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