ChemSpider 2D Image | 5-epi-nakijiquinone L | C26H39NO3

5-epi-nakijiquinone L

  • Molecular FormulaC26H39NO3
  • Average mass413.593 Da
  • Monoisotopic mass413.292999 Da
  • ChemSpider ID76803416
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

2,5-Cyclohexadiene-1,4-dione, 3-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-2-hydroxy-5-[(2-methylbutyl)amino]- [ACD/Index Name]
2-Hydroxy-5-[(2-methylbutyl)amino]-3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylendecahydro-1-naphthalinyl]methyl}-1,4-benzochinon [German] [ACD/IUPAC Name]
2-Hydroxy-5-[(2-méthylbutyl)amino]-3-{[(1R,2S,4aS,8aS)-1,2,4a-triméthyl-5-méthylènedécahydro-1-naphtalényl]méthyl}-1,4-benzoquinone [French] [ACD/IUPAC Name]
2-Hydroxy-5-[(2-methylbutyl)amino]-3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone [ACD/IUPAC Name]
5-epi-nakijiquinone L

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

Density: 1.1±0.1 g/cm3
Boiling Point: 523.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.7±6.0 kJ/mol
Flash Point: 270.3±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 330.20
ACD/KOC (pH 5.5): 546.75
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 18.25
ACD/KOC (pH 7.4): 30.22
Polar Surface Area: 66 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 381.0±5.0 cm3

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