ChemSpider 2D Image | nakijiquinone J | C26H39NO3

nakijiquinone J

  • Molecular FormulaC26H39NO3
  • Average mass413.593 Da
  • Monoisotopic mass413.292999 Da
  • ChemSpider ID24679647
  • defined stereocentres - 4 of 4 defined stereocentres


More details:



Featured data source



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

2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-[[(2S)-2-methylbutyl]amino]-3-[[(1R,2S,8aS)-1,2,3,5,6,7,8,8a-octahydro-1,2,5,5-tetramethyl-1-naphthalenyl]methyl]- [ACD/Index Name]
2-Hydroxy-5-{[(2S)-2-méthylbutyl]amino}-3-{[(1R,2S,8aS)-1,2,5,5-tétraméthyl-1,2,3,5,6,7,8,8a-octahydro-1-naphtalényl]méthyl}-1,4-benzoquinone [French] [ACD/IUPAC Name]
2-Hydroxy-5-{[(2S)-2-methylbutyl]amino}-3-{[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]methyl}-1,4-benzoquinone [ACD/IUPAC Name]
2-Hydroxy-5-{[(2S)-2-methylbutyl]amino}-3-{[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalinyl]methyl}-1,4-benzochinon [German] [ACD/IUPAC Name]
nakijiquinone J
nakijiquinones J

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 531.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 274.9±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.13
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 879.04
ACD/KOC (pH 5.5): 1097.99
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 49.07
ACD/KOC (pH 7.4): 61.29
Polar Surface Area: 66 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 379.0±5.0 cm3

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