ChemSpider 2D Image | (1R,5R,6R)-6-[(2E,6E,9S,10E)-9,12-Dihydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2,3-dimethoxy-5-methyl-4-oxo-2-cyclohexen-1-yl acetate | C26H40O7

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

  • Molecular FormulaC26H40O7
  • Average mass464.592 Da
  • Monoisotopic mass464.277405 Da
  • ChemSpider ID78441661

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,5R,6R)-6-[(2E,6E,9S,10E)-9,12-Dihydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2,3-dimethoxy-5-methyl-4-oxo-2-cyclohexen-1-yl acetate [ACD/IUPAC Name]
(1R,5R,6R)-6-[(2E,6E,9S,10E)-9,12-Dihydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2,3-dimethoxy-5-methyl-4-oxo-2-cyclohexen-1-yl-acetat [German] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 4-(acetyloxy)-5-[(2E,6E,9S,10E)-9,12-dihydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2,3-dimethoxy-6-methyl-, (4R,5R,6R)- [ACD/Index Name]
Acétate de (1R,5R,6R)-6-[(2E,6E,9S,10E)-9,12-dihydroxy-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-2,3-diméthoxy-5-méthyl-4-oxo-2-cyclohexén-1-yle [French] [ACD/IUPAC Name]
Antroquinonol Q

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

Density: 1.1±0.1 g/cm3
Boiling Point: 629.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.7±6.0 kJ/mol
Flash Point: 202.6±25.0 °C
Index of Refraction: 1.522
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1003.50
ACD/KOC (pH 5.5): 4898.77
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1003.50
ACD/KOC (pH 7.4): 4898.77
Polar Surface Area: 102 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 417.3±5.0 cm3

Click to predict properties on the Chemicalize site


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