ChemSpider 2D Image | Cyclo(L-alanylglycyl-L-valyl-L-lysyl-L-tyrosyl) | C25H38N6O6

Cyclo(L-alanylglycyl-L-valyl-L-lysyl-L-tyrosyl)

  • Molecular FormulaC25H38N6O6
  • Average mass518.606 Da
  • Monoisotopic mass518.285278 Da
  • ChemSpider ID8612071

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Cyclo(L-alanylglycyl-L-valyl-L-lysyl-L-tyrosyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-alanylglycyl-L-valyl-L-lysyl-L-tyrosyl) [German] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-alanylglycyl-L-valyl-L-lysyl-L-tyrosyl) [French] [ACD/Index Name] [ACD/IUPAC Name]
(3S,6S,9S,12S)-9-(4-amino-butyl)-6-(4-hydroxy-benzyl)-12-isopropyl-3-methyl-1,4,7,10,13pentaaza-cyclopentadecane-2,5,8,11,14-pentaone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL387421/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 985.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.6±3.0 kJ/mol
Flash Point: 549.6±34.3 °C
Index of Refraction: 1.511
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.46
ACD/LogD (pH 5.5): -3.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 451.8±3.0 cm3

Click to predict properties on the Chemicalize site


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