ChemSpider 2D Image | Cyclo(L-alanyl-L-valyl-L-leucyl-D-tryptophyl-L-alpha-aspartyl) | C29H40N6O7

Cyclo(L-alanyl-L-valyl-L-leucyl-D-tryptophyl-L-α-aspartyl)

  • Molecular FormulaC29H40N6O7
  • Average mass584.664 Da
  • Monoisotopic mass584.295837 Da
  • ChemSpider ID23159806

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Cyclo(L-alanyl-L-valyl-L-leucyl-D-tryptophyl-L-α-asparagyl) [German] [ACD/IUPAC Name]
Cyclo(L-alanyl-L-valyl-L-leucyl-D-tryptophyl-L-α-aspartyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-alanyl-L-valyl-L-leucyl-D-tryptophyl-L-α-aspartyl) [French] [ACD/Index Name] [ACD/IUPAC Name]
[14-(1H-Indol-3-ylmethyl)-11-isobutyl-8-isopropyl-5-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL302776/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1064.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.4±3.0 kJ/mol
Flash Point: 597.7±34.3 °C
Index of Refraction: 1.531
Molar Refractivity: 153.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.78
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 494.8±3.0 cm3

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