ChemSpider 2D Image | Kassinin | C59H94N14O19S

Kassinin

  • Molecular FormulaC59H94N14O19S
  • Average mass1335.525 Da
  • Monoisotopic mass1334.654053 Da
  • ChemSpider ID23215492

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

63968-82-1 [RN]
Asp-Val-Pro-Lys-Ser-Asp-Gln-Phe-Val-Gly-Leu-Met-NH2
Kassinin [Wiki]
L-Methioninamide, L-α-aspartyl-L-valyl-L-prolyl-L-lysyl-L-seryl-L-α-aspartyl-L-α-glutamyl-L-phenylalanyl-L-valylglycyl-L-leucyl- [ACD/Index Name]
L-α-Asparagyl-L-valyl-L-prolyl-L-lysyl-L-seryl-L-α-asparagyl-L-α-glutamyl-L-phenylalanyl-L-valylglycyl-L-leucyl-L-methioninamid [German] [ACD/IUPAC Name]
L-α-Aspartyl-L-valyl-L-prolyl-L-lysyl-L-seryl-L-α-aspartyl-L-α-glutamyl-L-phenylalanyl-L-valylglycyl-L-leucyl-L-methioninamide [ACD/IUPAC Name]
L-α-Aspartyl-L-valyl-L-prolyl-L-lysyl-L-séryl-L-α-aspartyl-L-α-glutamyl-L-phénylalanyl-L-valylglycyl-L-leucyl-L-méthioninamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL436706/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1714.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 285.7±3.0 kJ/mol
Flash Point: 990.7±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 333.9±0.3 cm3
#H bond acceptors: 33
#H bond donors: 20
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -5.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 564 Å2
Polarizability: 132.4±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 1016.4±3.0 cm3

Click to predict properties on the Chemicalize site


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