ChemSpider 2D Image | 2,2',2''-[(3,8,13-Trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g][9]annulene-2,7,12-triyl)tris(oxy-2,1-ethanediyloxy-2,1-ethanediyloxy-2,1-ethanediyloxy)]triethanol | C48H72O18

2,2',2''-[(3,8,13-Trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g][9]annulene-2,7,12-triyl)tris(oxy-2,1-ethanediyloxy-2,1-ethanediyloxy-2,1-ethanediyloxy)]triethanol

  • Molecular FormulaC48H72O18
  • Average mass937.075 Da
  • Monoisotopic mass936.471863 Da
  • ChemSpider ID9062800

More details:

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

2,2',2''-[(3,8,13-Trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g][9]annulen-2,7,12-triyl)tris(oxy-2,1-ethandiyloxy-2,1-ethandiyloxy-2,1-ethandiyloxy)]triethanol [German] [ACD/IUPAC Name]
2,2',2''-[(3,8,13-Trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g][9]annulene-2,7,12-triyl)tris(oxy-2,1-ethanediyloxy-2,1-ethanediyloxy-2,1-ethanediyloxy)]triethanol [ACD/IUPAC Name]
2,2',2''-[(3,8,13-Triméthoxy-10,15-dihydro-5H-tribenzo[a,d,g][9]annulène-2,7,12-triyl)tris(oxy-2,1-éthanediyloxy-2,1-éthanediyloxy-2,1-éthanediyloxy)]triéthanol [French] [ACD/IUPAC Name]
Ethanol, 2,2',2''-[(10,15-dihydro-3,8,13-trimethoxy-5H-tribenzo[a,d,g]cyclononene-2,7,12-triyl)tris(oxy-2,1-ethanediyloxy-2,1-ethanediyloxy-2,1-ethanediyloxy)]tris- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 971.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.3±3.0 kJ/mol
Flash Point: 541.4±34.3 °C
Index of Refraction: 1.534
Molar Refractivity: 245.3±0.3 cm3
#H bond acceptors: 18
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 0.20
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.88
ACD/KOC (pH 5.5): 316.87
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.88
ACD/KOC (pH 7.4): 316.87
Polar Surface Area: 199 Å2
Polarizability: 97.2±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 789.5±3.0 cm3

Click to predict properties on the Chemicalize site


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