ChemSpider 2D Image | (3R,5S)-5-{(2E,6E)-8-[(1R,2R,6R)-2-Hydroxy-4-methoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-2,6-dimethyl-2,6-octadien-1-yl}-3-methyldihydro-2(3H)-furanone | C23H34O5

(3R,5S)-5-{(2E,6E)-8-[(1R,2R,6R)-2-Hydroxy-4-methoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-2,6-dimethyl-2,6-octadien-1-yl}-3-methyldihydro-2(3H)-furanone

  • Molecular FormulaC23H34O5
  • Average mass390.513 Da
  • Monoisotopic mass390.240631 Da
  • ChemSpider ID78441663

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,5S)-5-{(2E,6E)-8-[(1R,2R,6R)-2-Hydroxy-4-methoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-2,6-dimethyl-2,6-octadien-1-yl}-3-methyldihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3R,5S)-5-{(2E,6E)-8-[(1R,2R,6R)-2-Hydroxy-4-methoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-2,6-dimethyl-2,6-octadien-1-yl}-3-methyldihydro-2(3H)-furanone [ACD/IUPAC Name]
(3R,5S)-5-{(2E,6E)-8-[(1R,2R,6R)-2-Hydroxy-4-méthoxy-6-méthyl-5-oxo-3-cyclohexén-1-yl]-2,6-diméthyl-2,6-octadién-1-yl}-3-méthyldihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-5-[(2E,6E)-8-[(1R,2R,6R)-2-hydroxy-4-methoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-2,6-dimethyl-2,6-octadien-1-yl]-3-methyl-, (3R,5S)- [ACD/Index Name]
Antroquinonol S

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

Density: 1.1±0.1 g/cm3
Boiling Point: 572.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 192.1±23.6 °C
Index of Refraction: 1.525
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.82
ACD/KOC (pH 5.5): 1630.59
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.82
ACD/KOC (pH 7.4): 1630.59
Polar Surface Area: 73 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 354.5±5.0 cm3

Click to predict properties on the Chemicalize site


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