ChemSpider 2D Image | (4R,5R,6R)-4-Hydroxy-5-[(2E,6E)-12-hydroxy-3,7,11-trimethyl-2,6-dodecadien-1-yl]-2,3-dimethoxy-6-methyl-2-cyclohexen-1-one | C24H40O5

(4R,5R,6R)-4-Hydroxy-5-[(2E,6E)-12-hydroxy-3,7,11-trimethyl-2,6-dodecadien-1-yl]-2,3-dimethoxy-6-methyl-2-cyclohexen-1-one

  • Molecular FormulaC24H40O5
  • Average mass408.571 Da
  • Monoisotopic mass408.287567 Da
  • ChemSpider ID78441665

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4R,5R,6R)-4-Hydroxy-5-[(2E,6E)-12-hydroxy-3,7,11-trimethyl-2,6-dodecadien-1-yl]-2,3-dimethoxy-6-methyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(4R,5R,6R)-4-Hydroxy-5-[(2E,6E)-12-hydroxy-3,7,11-trimethyl-2,6-dodecadien-1-yl]-2,3-dimethoxy-6-methyl-2-cyclohexen-1-one [ACD/IUPAC Name]
(4R,5R,6R)-4-Hydroxy-5-[(2E,6E)-12-hydroxy-3,7,11-triméthyl-2,6-dodécadién-1-yl]-2,3-diméthoxy-6-méthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 4-hydroxy-5-[(2E,6E)-12-hydroxy-3,7,11-trimethyl-2,6-dodecadien-1-yl]-2,3-dimethoxy-6-methyl-, (4R,5R,6R)- [ACD/Index Name]
Antroquinonol W

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

Density: 1.0±0.1 g/cm3
Boiling Point: 571.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.4±6.0 kJ/mol
Flash Point: 185.8±23.6 °C
Index of Refraction: 1.511
Molar Refractivity: 116.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2934.81
ACD/KOC (pH 5.5): 10560.62
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2934.78
ACD/KOC (pH 7.4): 10560.51
Polar Surface Area: 76 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 389.1±5.0 cm3

Click to predict properties on the Chemicalize site


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