ChemSpider 2D Image | popolohuanone F | C42H57NO3

popolohuanone F

  • Molecular FormulaC42H57NO3
  • Average mass623.907 Da
  • Monoisotopic mass623.433838 Da
  • ChemSpider ID24677031

  • 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-[[(1R,2S,4aR,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-5-[[3-[[(1R,2S,4aR,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-4- hydroxyphenyl]amino]- [ACD/Index Name]
2-[(4-Hydroxy-3-{[(1R,2S,4aR,8aS)-1,2,4a-trimethyl-5-methylendecahydro-1-naphthalinyl]methyl}phenyl)amino]-5-{[(1R,2S,4aR,8aS)-1,2,4a-trimethyl-5-methylendecahydro-1-naphthalinyl]methyl}-1,4-benzochin on [German] [ACD/IUPAC Name]
2-[(4-Hydroxy-3-{[(1R,2S,4aR,8aS)-1,2,4a-triméthyl-5-méthylènedécahydro-1-naphtalényl]méthyl}phényl)amino]-5-{[(1R,2S,4aR,8aS)-1,2,4a-triméthyl-5-méthylènedécahydro-1-naphtalényl]méthyl}-1,4-benzoquin one [French] [ACD/IUPAC Name]
2-[(4-Hydroxy-3-{[(1R,2S,4aR,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}phenyl)amino]-5-{[(1R,2S,4aR,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoqu inone [ACD/IUPAC Name]
popolohuanone F

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

Density: 1.1±0.1 g/cm3
Boiling Point: 690.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 371.4±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 187.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 13.18
ACD/LogD (pH 5.5): 11.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 66 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 558.1±5.0 cm3

Click to predict properties on the Chemicalize site


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