ChemSpider 2D Image | Cyclo[(2S)-2-phenylglycyl-L-tryptophyl-L-lysyl-O-benzyl-L-tyrosyl-L-phenylalanyl-(4S)-4-{[(2-aminoethyl)carbamoyl]oxy}prolyl] | C58H66N10O9

Cyclo[(2S)-2-phenylglycyl-L-tryptophyl-L-lysyl-O-benzyl-L-tyrosyl-L-phenylalanyl-(4S)-4-{[(2-aminoethyl)carbamoyl]oxy}prolyl]

  • Molecular FormulaC58H66N10O9
  • Average mass1047.206 Da
  • Monoisotopic mass1046.501465 Da
  • ChemSpider ID8482505

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

Cyclo[(2S)-2-phenylglycyl-L-tryptophyl-L-lysyl-O-(phenylmethyl)-L-tyrosyl-L-phenylalanyl-(4S)-4-[[[(2-aminoethyl)amino]carbonyl]oxy]prolyl] [ACD/Index Name]
Cyclo[(2S)-2-phenylglycyl-L-tryptophyl-L-lysyl-O-benzyl-L-tyrosyl-L-phenylalanyl-(4S)-4-{[(2-aminoethyl)carbamoyl]oxy}prolyl] [ACD/IUPAC Name]
Cyclo[(2S)-2-phenylglycyl-L-tryptophyl-L-lysyl-O-benzyl-L-tyrosyl-L-phenylalanyl-(4S)-4-{[(2-aminoethyl)carbamoyl]oxy}prolyl] [German] [ACD/IUPAC Name]
Cyclo[(2S)-2-phénylglycyl-L-tryptophyl-L-lysyl-O-benzyl-L-tyrosyl-L-phénylalanyl-(4S)-4-{[(2-aminoéthyl)carbamoyl]oxy}prolyl] [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1351.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 205.2±3.0 kJ/mol
Flash Point: 771.1±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 290.6±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 2.79
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 281 Å2
Polarizability: 115.2±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 768.7±5.0 cm3

Click to predict properties on the Chemicalize site


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