ChemSpider 2D Image | 1-Ethyl-3-[3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)benzyl]urea | C29H45N3O5

1-Ethyl-3-[3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)benzyl]urea

  • Molecular FormulaC29H45N3O5
  • Average mass515.685 Da
  • Monoisotopic mass515.335938 Da
  • ChemSpider ID26628091

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Ethyl-3-[3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)benzyl]harnstoff [German] [ACD/IUPAC Name]
1-Ethyl-3-[3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)benzyl]urea [ACD/IUPAC Name]
1-Éthyl-3-[3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxyméthyl)phényl]éthyl}amino)hexyl]oxy}butyl)benzyl]urée [French] [ACD/IUPAC Name]
Urea, N-ethyl-N'-[[3-[4-[[6-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexyl]oxy]butyl]phenyl]methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 748.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.7±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 13.02
Polar Surface Area: 123 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 454.3±3.0 cm3

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