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-2,3-dimethoxy-6-methyl-2-cyclohexen-1-one | C24H38O6

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

  • Molecular FormulaC24H38O6
  • Average mass422.555 Da
  • Monoisotopic mass422.266846 Da
  • ChemSpider ID78441660

  • 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-2,3-dimethoxy-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-2,3-dimethoxy-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-2,3-diméthoxy-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-2,3-dimethoxy-6-methyl-, (4R,5R,6R)- [ACD/Index Name]
Antroquinonol P

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.3±6.0 kJ/mol
Flash Point: 207.2±25.0 °C
Index of Refraction: 1.533
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 341.08
ACD/KOC (pH 5.5): 2262.66
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 341.07
ACD/KOC (pH 7.4): 2262.64
Polar Surface Area: 96 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 379.6±5.0 cm3

Click to predict properties on the Chemicalize site


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