ChemSpider 2D Image | Tetragastrin | C29H36N6O6S

Tetragastrin

  • Molecular FormulaC29H36N6O6S
  • Average mass596.698 Da
  • Monoisotopic mass596.241699 Da
  • ChemSpider ID393888
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Tetragastrin [JAN]
0OL293AV80
1947-37-1 [RN]
CCK-4 [Wiki]
Cholecystokinin tetrapeptide [Wiki]
L-Phenylalaninamide, L-tryptophyl-L-methionyl-L-α-aspartyl- [ACD/Index Name]
L-Tryptophyl-L-methionyl-L-α-asparagyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
L-Tryptophyl-L-methionyl-L-α-aspartyl-L-phenylalaninamide [ACD/IUPAC Name]
L-Tryptophyl-L-méthionyl-L-α-aspartyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
Trp-Met-Asp-Phe-NH
More...

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

CCRIS 3246 [DBID]
NSC 620336 [DBID]
  • Miscellaneous
    • Chemical Class:

      A tetrapeptide composed of <stereo>L</stereo>-tryptophan, <stereo>L</stereo>-methione, <stereo>L</stereo>-aspartic acid and <stereo>L</stereo>-phenylalaninamide residues joined in sequence. ChEBI CHEBI:137728

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1070.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.3±3.0 kJ/mol
Flash Point: 600.9±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.95
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 235 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 442.4±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form