ChemSpider 2D Image | (4R,5R,6R)-5-[(2E,6E,9S,10E)-9,12-Dihydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-4-hydroxy-2-methoxy-6-methyl-2-cyclohexen-1-one | C23H36O5

(4R,5R,6R)-5-[(2E,6E,9S,10E)-9,12-Dihydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-4-hydroxy-2-methoxy-6-methyl-2-cyclohexen-1-one

  • Molecular FormulaC23H36O5
  • Average mass392.529 Da
  • Monoisotopic mass392.256287 Da
  • ChemSpider ID78441659

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R,5R,6R)-5-[(2E,6E,9S,10E)-9,12-Dihydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-4-hydroxy-2-methoxy-6-methyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(4R,5R,6R)-5-[(2E,6E,9S,10E)-9,12-Dihydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-4-hydroxy-2-methoxy-6-methyl-2-cyclohexen-1-one [ACD/IUPAC Name]
(4R,5R,6R)-5-[(2E,6E,9S,10E)-9,12-Dihydroxy-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-4-hydroxy-2-méthoxy-6-méthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 5-[(2E,6E,9S,10E)-9,12-dihydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-4-hydroxy-2-methoxy-6-methyl-, (4R,5R,6R)- [ACD/Index Name]
Antroquinonol O

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

Density: 1.1±0.1 g/cm3
Boiling Point: 587.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.7±6.0 kJ/mol
Flash Point: 195.9±23.6 °C
Index of Refraction: 1.537
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 258.03
ACD/KOC (pH 5.5): 1853.01
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 258.03
ACD/KOC (pH 7.4): 1853.01
Polar Surface Area: 87 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 357.6±5.0 cm3

Click to predict properties on the Chemicalize site


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