ChemSpider 2D Image | (2E,4S,6E,10E)-12-[(1R,2R,6R)-2-Acetoxy-3,4-dimethoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-4-hydroxy-2,6,10-trimethyl-2,6,10-dodecatrienoic acid | C26H38O8

(2E,4S,6E,10E)-12-[(1R,2R,6R)-2-Acetoxy-3,4-dimethoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-4-hydroxy-2,6,10-trimethyl-2,6,10-dodecatrienoic acid

  • Molecular FormulaC26H38O8
  • Average mass478.575 Da
  • Monoisotopic mass478.256653 Da
  • ChemSpider ID78441667

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E,4S,6E,10E)-12-[(1R,2R,6R)-2-Acetoxy-3,4-dimethoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-4-hydroxy-2,6,10-trimethyl-2,6,10-dodecatrienoic acid [ACD/IUPAC Name]
(2E,4S,6E,10E)-12-[(1R,2R,6R)-2-Acetoxy-3,4-dimethoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-4-hydroxy-2,6,10-trimethyl-2,6,10-dodecatriensäure [German] [ACD/IUPAC Name]
2,6,10-Dodecatrienoic acid, 12-[(1R,2R,6R)-2-(acetyloxy)-3,4-dimethoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-4-hydroxy-2,6,10-trimethyl-, (2E,4S,6E,10E)- [ACD/Index Name]
Acide (2E,4S,6E,10E)-12-[(1R,2R,6R)-2-acétoxy-3,4-diméthoxy-6-méthyl-5-oxo-3-cyclohexén-1-yl]-4-hydroxy-2,6,10-triméthyl-2,6,10-dodécatriénoïque [French] [ACD/IUPAC Name]
Antroquinonol U

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±6.0 kJ/mol
Flash Point: 218.2±25.0 °C
Index of Refraction: 1.528
Molar Refractivity: 127.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 137.88
ACD/KOC (pH 5.5): 592.48
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 9.35
Polar Surface Area: 119 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 414.1±5.0 cm3

Click to predict properties on the Chemicalize site


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