ChemSpider 2D Image | N,N'-(8,13-Dibenzyl-3,6,9,12,15,18-hexaoxo-4,7,10,11,14,17-hexaazaicosane-2,19-diyl)bis[2-amino-3-(4-hydroxyphenyl)propanamide] | C46H56N10O10

N,N'-(8,13-Dibenzyl-3,6,9,12,15,18-hexaoxo-4,7,10,11,14,17-hexaazaicosane-2,19-diyl)bis[2-amino-3-(4-hydroxyphenyl)propanamide]

  • Molecular FormulaC46H56N10O10
  • Average mass908.998 Da
  • Monoisotopic mass908.418091 Da
  • ChemSpider ID11380137

More details:

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

N,N'-(8,13-Dibenzyl-3,6,9,12,15,18-hexaoxo-4,7,10,11,14,17-hexaazaicosan-2,19-diyl)bis[2-amino-3-(4-hydroxyphenyl)propanamid] [German] [ACD/IUPAC Name]
N,N'-(8,13-Dibenzyl-3,6,9,12,15,18-hexaoxo-4,7,10,11,14,17-hexaazaicosane-2,19-diyl)bis[2-amino-3-(4-hydroxyphenyl)propanamide] [ACD/IUPAC Name]
N,N'-(8,13-Dibenzyl-3,6,9,12,15,18-hexaoxo-4,7,10,11,14,17-hexaazaicosane-2,19-diyl)bis[2-amino-3-(4-hydroxyphényl)propanamide] [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: 1395.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 219.5±3.0 kJ/mol
Flash Point: 797.8±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 241.5±0.3 cm3
#H bond acceptors: 20
#H bond donors: 14
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -3.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.66
Polar Surface Area: 325 Å2
Polarizability: 95.7±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 688.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement