ChemSpider 2D Image | N-Acetyl-L-tryptophyl-(4R)-4-(methylsulfanyl)-D-prolyl-L-alpha-aspartyl-L-phenylalaninamide | C32H38N6O7S

N-Acetyl-L-tryptophyl-(4R)-4-(methylsulfanyl)-D-prolyl-L-α-aspartyl-L-phenylalaninamide

  • Molecular FormulaC32H38N6O7S
  • Average mass650.745 Da
  • Monoisotopic mass650.252258 Da
  • ChemSpider ID8230599

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Phenylalaninamide, N-acetyl-L-tryptophyl-(4R)-4-(methylthio)-D-prolyl-L-α-aspartyl- [ACD/Index Name]
N-Acetyl-L-tryptophyl-(4R)-4-(methylsulfanyl)-D-prolyl-L-α-asparagyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-Acetyl-L-tryptophyl-(4R)-4-(methylsulfanyl)-D-prolyl-L-α-aspartyl-L-phenylalaninamide [ACD/IUPAC Name]
N-Acétyl-L-tryptophyl-(4R)-4-(méthylsulfanyl)-D-prolyl-L-α-aspartyl-L-phénylalaninamide [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: 1137.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 175.7±3.0 kJ/mol
Flash Point: 641.9±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 172.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.75
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 75.7±5.0 dyne/cm
Molar Volume: 463.3±5.0 cm3

Click to predict properties on the Chemicalize site


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