ChemSpider 2D Image | Cyclo(N-methyl-L-leucyl-L-tyrosyl-L-leucyl-L-leucyl-L-valyl) | C33H53N5O6

Cyclo(N-methyl-L-leucyl-L-tyrosyl-L-leucyl-L-leucyl-L-valyl)

  • Molecular FormulaC33H53N5O6
  • Average mass615.804 Da
  • Monoisotopic mass615.399597 Da
  • ChemSpider ID23281749

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Cyclo(N-methyl-L-leucyl-L-tyrosyl-L-leucyl-L-leucyl-L-valyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(N-methyl-L-leucyl-L-tyrosyl-L-leucyl-L-leucyl-L-valyl) [German] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(N-méthyl-L-leucyl-L-tyrosyl-L-leucyl-L-leucyl-L-valyl) [French] [ACD/IUPAC Name]
(3S,6S,9S,12S,15S)-12-[(4-hydroxyphenyl)methyl]-1-methyl-6,9,15-tris(2-methylpropyl)-3-(propan-2-yl)-1,4,7,10,13-pentaazacyclopentadecane-2,5,8,11,14-pentone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL388366/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 915.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.6±3.0 kJ/mol
Flash Point: 507.2±34.3 °C
Index of Refraction: 1.489
Molar Refractivity: 169.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.47
ACD/KOC (pH 5.5): 731.36
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.25
ACD/KOC (pH 7.4): 729.06
Polar Surface Area: 157 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 585.5±3.0 cm3

Click to predict properties on the Chemicalize site


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