ChemSpider 2D Image | (4R,5R,6R)-5-[(2E,6E,9S,10E)-9,12-Dihydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-3,6-dihydroxy-2-methoxy-4-methyl-2-cyclohexen-1-one | C23H36O6

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

  • Molecular FormulaC23H36O6
  • Average mass408.528 Da
  • Monoisotopic mass408.251190 Da
  • ChemSpider ID78441662

  • 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]-3,6-dihydroxy-2-methoxy-4-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]-3,6-dihydroxy-2-methoxy-4-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]-3,6-dihydroxy-2-méthoxy-4-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]-3,6-dihydroxy-2-methoxy-4-methyl-, (4R,5R,6R)- [ACD/Index Name]
Antroquinonol R

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.3±6.0 kJ/mol
Flash Point: 204.5±25.0 °C
Index of Refraction: 1.549
Molar Refractivity: 112.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 20.51
ACD/KOC (pH 5.5): 165.14
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.79
Polar Surface Area: 107 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 354.7±5.0 cm3

Click to predict properties on the Chemicalize site


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