ChemSpider 2D Image | 4-[1-Hydroxy-2-({8-({2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)-4-[({2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)methyl]octyl}amino)ethyl]-2-(hydroxymethyl)phenol | C36H53N3O9

4-[1-Hydroxy-2-({8-({2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)-4-[({2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)methyl]octyl}amino)ethyl]-2-(hydroxymethyl)phenol

  • Molecular FormulaC36H53N3O9
  • Average mass671.821 Da
  • Monoisotopic mass671.378174 Da
  • ChemSpider ID8071779

More details:

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

1,3-Benzenedimethanol, 4-hydroxy-α1-[[[6-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-[3-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]hexyl]amino]methyl ]- [ACD/Index Name]
4-[1-Hydroxy-2-({8-({2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)-4-[({2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)methyl]octyl}amino)ethyl]-2-(hydroxymethyl)phenol [ACD/IUPAC Name]
4-[1-Hydroxy-2-({8-({2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)-4-[({2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)methyl]octyl}amino)ethyl]-2-(hydroxymethyl)phenol [German] [ACD/IUPAC Name]
4-[1-Hydroxy-2-({8-({2-hydroxy-2-[4-hydroxy-3-(hydroxyméthyl)phényl]éthyl}amino)-4-[({2-hydroxy-2-[4-hydroxy-3-(hydroxyméthyl)phényl]éthyl}amino)méthyl]octyl}amino)éthyl]-2-(hydroxyméthyl)phénol [French] [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: 937.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.9±3.0 kJ/mol
Flash Point: 89.0±24.9 °C
Index of Refraction: 1.637
Molar Refractivity: 185.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 12
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -6.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 516.6±3.0 cm3

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