ChemSpider 2D Image | 3,6,8-Trihydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-4-yl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoate | C27H28O11

3,6,8-Trihydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-4-yl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoate

  • Molecular FormulaC27H28O11
  • Average mass528.505 Da
  • Monoisotopic mass528.163147 Da
  • ChemSpider ID8294684

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-6-(4-Hydroxy-6-méthoxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-méthyl-4-hexénoate de 3,6,8-trihydroxy-3-méthyl-1-oxo-3,4-dihydro-1H-isochromén-4-yle [French] [ACD/IUPAC Name]
3,6,8-Trihydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-4-yl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoate [ACD/IUPAC Name]
3,6,8-Trihydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-4-yl-(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoat [German] [ACD/IUPAC Name]
4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 3,4-dihydro-3,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl ester, (4E)- [ACD/Index Name]
F13459

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

Density: 1.5±0.1 g/cm3
Boiling Point: 843.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 283.4±27.8 °C
Index of Refraction: 1.662
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 874.89
ACD/KOC (pH 5.5): 4432.31
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 575.01
ACD/KOC (pH 7.4): 2913.11
Polar Surface Area: 169 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 351.0±5.0 cm3

Click to predict properties on the Chemicalize site


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