ChemSpider 2D Image | Myristinin E | C36H38O7

Myristinin E

  • Molecular FormulaC36H38O7
  • Average mass582.683 Da
  • Monoisotopic mass582.261780 Da
  • ChemSpider ID8229575

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Nonanone, 1-[3-[(2R,4R)-3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxyphenyl]-9-phenyl- [ACD/Index Name]
9-Phenyl-1-{2,4,6-trihydroxy-3-[(2R,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl}-1-nonanon [German] [ACD/IUPAC Name]
9-Phenyl-1-{2,4,6-trihydroxy-3-[(2R,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl}-1-nonanone [ACD/IUPAC Name]
9-Phényl-1-{2,4,6-trihydroxy-3-[(2R,4R)-7-hydroxy-2-(4-hydroxyphényl)-3,4-dihydro-2H-chromén-4-yl]phényl}-1-nonanone [French] [ACD/IUPAC Name]
Myristinin E
Myristinin F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 750.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 235.7±26.4 °C
Index of Refraction: 1.646
Molar Refractivity: 165.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 9.37
ACD/LogD (pH 5.5): 8.08
ACD/BCF (pH 5.5): 805500.75
ACD/KOC (pH 5.5): 582911.44
ACD/LogD (pH 7.4): 7.54
ACD/BCF (pH 7.4): 235368.81
ACD/KOC (pH 7.4): 170327.81
Polar Surface Area: 127 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 455.6±3.0 cm3

Click to predict properties on the Chemicalize site


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