ChemSpider 2D Image | 1,1',6,6'-Tetrahydroxy-8,8'-bis{[(1-hydroxy-2-methyl-2-propanyl)amino]methylene}-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-7,7'(8H,8'H)-dione | C38H48N2O8

1,1',6,6'-Tetrahydroxy-8,8'-bis{[(1-hydroxy-2-methyl-2-propanyl)amino]methylene}-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-7,7'(8H,8'H)-dione

  • Molecular FormulaC38H48N2O8
  • Average mass660.796 Da
  • Monoisotopic mass660.341064 Da
  • ChemSpider ID5239848

More details:

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

[2,2'-Binaphthalene]-7,7'(8H,8'H)-dione, 1,1',6,6'-tetrahydroxy-8,8'-bis[[(2-hydroxy-1,1-dimethylethyl)amino]methylene]-3,3'-dimethyl-5,5'-bis(1-methylethyl)- [ACD/Index Name]
1,1',6,6'-Tetrahydroxy-8,8'-bis{[(1-hydroxy-2-methyl-2-propanyl)amino]methylen}-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalin-7,7'(8H,8'H)-dion [German] [ACD/IUPAC Name]
1,1',6,6'-Tétrahydroxy-8,8'-bis{[(1-hydroxy-2-méthyl-2-propanyl)amino]méthylène}-5,5'-diisopropyl-3,3'-diméthyl-2,2'-binaphtalène-7,7'(8H,8'H)-dione [French] [ACD/IUPAC Name]
1,1',6,6'-Tetrahydroxy-8,8'-bis{[(1-hydroxy-2-methyl-2-propanyl)amino]methylene}-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-7,7'(8H,8'H)-dione [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 880.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.0±3.0 kJ/mol
Flash Point: 486.0±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 187.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 9.76
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 94766.95
ACD/KOC (pH 5.5): 125502.49
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 16829.08
ACD/KOC (pH 7.4): 22287.22
Polar Surface Area: 180 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 493.7±3.0 cm3

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