ChemSpider 2D Image | cholecystokinin tetrapeptide | C29H35N5O7S

cholecystokinin tetrapeptide

  • Molecular FormulaC29H35N5O7S
  • Average mass597.682 Da
  • Monoisotopic mass597.225708 Da
  • ChemSpider ID27470965
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

cholecystokinin tetrapeptide
(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
CCK-4 [Wiki]
L-Phenylalanyl-L-α-asparagyl-L-methionyl-L-tryptophan [German] [ACD/IUPAC Name]
L-Phenylalanyl-L-α-aspartyl-L-methionyl-L-tryptophan [ACD/IUPAC Name]
L-Phénylalanyl-L-α-aspartyl-L-méthionyl-L-tryptophane [French] [ACD/IUPAC Name]
L-Tryptophan, L-phenylalanyl-L-α-aspartyl-L-methionyl- [ACD/Index Name]
PTK7
Trp-Met-Asp-Phe-NH2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1038.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.1±3.0 kJ/mol
Flash Point: 582.0±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 158.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.04
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 436.2±3.0 cm3

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