ChemSpider 2D Image | Phenylalanylglutaminyl-O-phosphonoseryl-alpha-glutamyl-alpha-glutamylglutaminylglutaminylglutaminylthreonyl-alpha-glutamyl-alpha-aspartyl-alpha-glutamylleucylglutaminyl-alpha-aspartyllysine | C81H125N22O39P

Phenylalanylglutaminyl-O-phosphonoseryl-α-glutamyl-α-glutamylglutaminylglutaminylglutaminylthreonyl-α-glutamyl-α-aspartyl-α-glutamylleucylglutaminyl-α-aspartyllysine

  • Molecular FormulaC81H125N22O39P
  • Average mass2061.957 Da
  • Monoisotopic mass2060.821289 Da
  • ChemSpider ID29272861

More details:






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

Lysine, phenylalanylglutaminyl-O-phosphonoseryl-α-glutamyl-α-glutamylglutaminylglutaminylglutaminylthreonyl-α-glutamyl-α-aspartyl-α-glutamylleucylglutaminyl-α-aspartyl- [ACD/Index Name]
Phenylalanylglutaminyl-O-phosphonoseryl-α-glutamyl-α-glutamylglutaminylglutaminylglutaminylthreonyl-α-glutamyl-α-asparagyl-α-glutamylleucylglutaminyl-α-asparagyllysin [German] [ACD/IUPAC Name]
Phenylalanylglutaminyl-O-phosphonoseryl-α-glutamyl-α-glutamylglutaminylglutaminylglutaminylthreonyl-α-glutamyl-α-aspartyl-α-glutamylleucylglutaminyl-α-aspartyllysine [ACD/IUPAC Name]
Phénylalanylglutaminyl-O-phosphonoséryl-α-glutamyl-α-glutamylglutaminylglutaminylglutaminylthréonyl-α-glutamyl-α-aspartyl-α-glutamylleucylglutaminyl-α-aspartyllysine [French] [ACD/IUPAC Name]
9000-71-9 [RN]
Bovine β-casein monophosphopeptide
Casein

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 1916.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 329.8±3.0 kJ/mol
Flash Point: 1113.1±37.1 °C
Index of Refraction: 1.670
Molar Refractivity: 472.6±0.5 cm3
#H bond acceptors: 61
#H bond donors: 39
#Freely Rotating Bonds: 74
#Rule of 5 Violations: 4
ACD/LogP: 5.65
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 1119 Å2
Polarizability: 187.4±0.5 10-24cm3
Surface Tension: 77.9±7.0 dyne/cm
Molar Volume: 1264.8±7.0 cm3

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