ChemSpider 2D Image | N-Acetyl-3-(2-naphthyl)alanyl-4-chlorophenylalanyl-3-(3-pyridinyl)alanylseryl-N-methyltyrosylasparaginylleucyl-N~6~-isopropyllysylprolylalaninamide | C72H95ClN14O14

N-Acetyl-3-(2-naphthyl)alanyl-4-chlorophenylalanyl-3-(3-pyridinyl)alanylseryl-N-methyltyrosylasparaginylleucyl-N6-isopropyllysylprolylalaninamide

  • Molecular FormulaC72H95ClN14O14
  • Average mass1416.063 Da
  • Monoisotopic mass1414.684082 Da
  • ChemSpider ID10625797

More details:






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

Alaninamide, N-acetyl-3-(2-naphthalenyl)alanyl-4-chlorophenylalanyl-3-(3-pyridinyl)alanylseryl-N-methyltyrosylasparaginylleucyl-N6-(1-methylethyl)lysylprolyl- [ACD/Index Name]
N-Acetyl-3-(2-naphthyl)alanyl-4-chlorophenylalanyl-3-(3-pyridinyl)alanylseryl-N-methyltyrosylasparaginylleucyl-N6-isopropyllysylprolylalaninamide [ACD/IUPAC Name]
N-Acetyl-3-(2-naphthyl)alanyl-4-chlorphenylalanyl-3-(3-pyridinyl)alanylseryl-N-methyltyrosylasparaginylleucyl-N6-isopropyllysylprolylalaninamid [German] [ACD/IUPAC Name]
N-Acétyl-3-(2-naphtyl)alanyl-4-chlorophénylalanyl-3-(3-pyridinyl)alanylséryl-N-méthyltyrosylasparaginylleucyl-N6-isopropyllysylprolylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1688.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 280.2±3.0 kJ/mol
Flash Point: 974.9±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 377.0±0.3 cm3
#H bond acceptors: 28
#H bond donors: 15
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 5.18
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 425 Å2
Polarizability: 149.5±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 1100.4±3.0 cm3

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