ChemSpider 2D Image | popolohuanone-C | C42H57NO3

popolohuanone-C

  • Molecular FormulaC42H57NO3
  • Average mass623.907 Da
  • Monoisotopic mass623.433838 Da
  • ChemSpider ID8659458

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-[[4-hydroxy-3-[[(1R,2S,4aS,8aS)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]methyl]phenyl]amino]-6-[[(1R,2S,4aS,8aS)-1,2,3,4,4a,7,8,8a-octahydro-1,2 ,4a,5-tetramethyl-1-naphthalenyl]methyl]- [ACD/Index Name]
2-[(4-Hydroxy-3-{[(1R,2S,4aS,8aS)-1,2,4a,5-tétraméthyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphtalényl]méthyl}phényl)amino]-6-{[(1R,2S,4aS,8aS)-1,2,4a,5-tétraméthyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphtalényl ]méthyl}-1,4-benzoquinone [French] [ACD/IUPAC Name]
2-[(4-Hydroxy-3-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}phenyl)amino]-6-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalen yl]methyl}-1,4-benzoquinone [ACD/IUPAC Name]
2-[(4-Hydroxy-3-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalinyl]methyl}phenyl)amino]-6-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalin yl]methyl}-1,4-benzochinon [German] [ACD/IUPAC Name]
popolohuanone-C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 689.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 370.9±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 188.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 13.19
ACD/LogD (pH 5.5): 11.97
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.97
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 66 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 573.6±3.0 cm3

Click to predict properties on the Chemicalize site


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