Found 1 result

Search term: 29215666 (Found by CSID)
ChemSpider 2D Image | (5S,6S)-3-Hydroxy-6-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethyl-2-cyclohexene-1,4-dione | C17H20O6

(5S,6S)-3-Hydroxy-6-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethyl-2-cyclohexene-1,4-dione

  • Molecular FormulaC17H20O6
  • Average mass320.337 Da
  • Monoisotopic mass320.125977 Da
  • ChemSpider ID29215666

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,6S)-3-Hydroxy-6-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethyl-2-cyclohexen-1,4-dion [German] [ACD/IUPAC Name]
(5S,6S)-3-Hydroxy-6-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethyl-2-cyclohexene-1,4-dione [ACD/IUPAC Name]
(5S,6S)-3-Hydroxy-6-(3-hydroxy-2,5-diméthylphénoxy)-5-méthoxy-2,5-diméthyl-2-cyclohexène-1,4-dione [French] [ACD/IUPAC Name]
2-Cyclohexene-1,4-dione, 3-hydroxy-6-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethyl-, (5S,6S)- [ACD/Index Name]
aculeatusquinone B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 499.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 180.4±22.2 °C
Index of Refraction: 1.581
Molar Refractivity: 81.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 28.95
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 245.5±5.0 cm3

Click to predict properties on the Chemicalize site


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