Found 1 result

Search term: 78438402 (Found by CSID)
ChemSpider 2D Image | (4R,5S,6R)-6-(2,4-Dihydroxy-5-methoxy-3-methylphenoxy)-4,5-dihydroxy-3-methoxy-5-methyl-2-cyclohexen-1-one | C16H20O8

(4R,5S,6R)-6-(2,4-Dihydroxy-5-methoxy-3-methylphenoxy)-4,5-dihydroxy-3-methoxy-5-methyl-2-cyclohexen-1-one

  • Molecular FormulaC16H20O8
  • Average mass340.325 Da
  • Monoisotopic mass340.115814 Da
  • ChemSpider ID78438402

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,5S,6R)-6-(2,4-Dihydroxy-5-methoxy-3-methylphenoxy)-4,5-dihydroxy-3-methoxy-5-methyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(4R,5S,6R)-6-(2,4-Dihydroxy-5-methoxy-3-methylphenoxy)-4,5-dihydroxy-3-methoxy-5-methyl-2-cyclohexen-1-one [ACD/IUPAC Name]
(4R,5S,6R)-6-(2,4-Dihydroxy-5-méthoxy-3-méthylphénoxy)-4,5-dihydroxy-3-méthoxy-5-méthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 6-(2,4-dihydroxy-5-methoxy-3-methylphenoxy)-4,5-dihydroxy-3-methoxy-5-methyl-, (4R,5S,6R)- [ACD/Index Name]
Xylariacyclone A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 592.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 217.7±23.6 °C
Index of Refraction: 1.621
Molar Refractivity: 82.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.40
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.28
Polar Surface Area: 126 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 233.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement