ChemSpider 2D Image | (1R,5R,6R)-2,3-Dimethoxy-5-methyl-4-oxo-6-[(2E,6E,9R,11R)-9,12,12-trihydroxy-3,7,11-trimethyl-2,6-dodecadien-1-yl]-2-cyclohexen-1-yl acetate | C26H42O8

(1R,5R,6R)-2,3-Dimethoxy-5-methyl-4-oxo-6-[(2E,6E,9R,11R)-9,12,12-trihydroxy-3,7,11-trimethyl-2,6-dodecadien-1-yl]-2-cyclohexen-1-yl acetate

  • Molecular FormulaC26H42O8
  • Average mass482.607 Da
  • Monoisotopic mass482.287964 Da
  • ChemSpider ID78441664

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,5R,6R)-2,3-Dimethoxy-5-methyl-4-oxo-6-[(2E,6E,9R,11R)-9,12,12-trihydroxy-3,7,11-trimethyl-2,6-dodecadien-1-yl]-2-cyclohexen-1-yl acetate [ACD/IUPAC Name]
(1R,5R,6R)-2,3-Dimethoxy-5-methyl-4-oxo-6-[(2E,6E,9R,11R)-9,12,12-trihydroxy-3,7,11-trimethyl-2,6-dodecadien-1-yl]-2-cyclohexen-1-yl-acetat [German] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 4-(acetyloxy)-2,3-dimethoxy-6-methyl-5-[(2E,6E,9R,11R)-9,12,12-trihydroxy-3,7,11-trimethyl-2,6-dodecadien-1-yl]-, (4R,5R,6R)- [ACD/Index Name]
Acétate de (1R,5R,6R)-2,3-diméthoxy-5-méthyl-4-oxo-6-[(2E,6E,9R,11R)-9,12,12-trihydroxy-3,7,11-triméthyl-2,6-dodécadién-1-yl]-2-cyclohexén-1-yle [French] [ACD/IUPAC Name]
Antroquinonol T

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

Density: 1.1±0.1 g/cm3
Boiling Point: 639.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 204.7±25.0 °C
Index of Refraction: 1.523
Molar Refractivity: 129.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.35
ACD/KOC (pH 5.5): 1228.78
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.35
ACD/KOC (pH 7.4): 1228.78
Polar Surface Area: 123 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 422.6±5.0 cm3

Click to predict properties on the Chemicalize site


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