Found 24 results

Search term: MF = 'C_{42}H_{54}O_{6}'
ChemSpider 2D Image | popolohuanone E | C42H54O6

popolohuanone E

  • Molecular FormulaC42H54O6
  • Average mass654.875 Da
  • Monoisotopic mass654.392029 Da
  • ChemSpider ID10473846

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1,4-Dibenzofurandione, 2,6-bis[[(1R,2S,4aR,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-3,7,8-trihydroxy- [ACD/Index Name]
3,7,8-Trihydroxy-2,6-bis{[(1R,2S,4aR,8aS)-1,2,4a-trimethyl-5-methylendecahydro-1-naphthalinyl]methyl}dibenzo[b,d]furan-1,4-dion [German] [ACD/IUPAC Name]
3,7,8-Trihydroxy-2,6-bis{[(1R,2S,4aR,8aS)-1,2,4a-triméthyl-5-méthylènedécahydro-1-naphtalényl]méthyl}dibenzo[b,d]furane-1,4-dione [French] [ACD/IUPAC Name]
3,7,8-Trihydroxy-2,6-bis{[(1R,2S,4aR,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}dibenzo[b,d]furan-1,4-dione [ACD/IUPAC Name]
popolohuanone E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 366.2±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 187.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 13.23
ACD/LogD (pH 5.5): 9.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 559238.69
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 42893.03
ACD/KOC (pH 7.4): 10016.97
Polar Surface Area: 108 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 533.8±5.0 cm3

Click to predict properties on the Chemicalize site


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