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

Cyclo(L-α-aspartyl-N-methylglycyl-L-valyl-D-leucyl-L-tryptophyl)

  • Molecular FormulaC29H40N6O7
  • Average mass584.664 Da
  • Monoisotopic mass584.295837 Da
  • ChemSpider ID23213453

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Cyclo(L-α-asparagyl-N-methylglycyl-L-valyl-D-leucyl-L-tryptophyl) [German] [ACD/IUPAC Name]
Cyclo(L-α-aspartyl-N-methylglycyl-L-valyl-D-leucyl-L-tryptophyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-α-aspartyl-N-méthylglycyl-L-valyl-D-leucyl-L-tryptophyl) [French] [ACD/IUPAC Name]
[(2S,8S,11R,14S)-14-(1H-Indol-3-ylmethyl)-11-isobutyl-8-isopropyl-4-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1039.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.3±3.0 kJ/mol
Flash Point: 582.6±34.3 °C
Index of Refraction: 1.538
Molar Refractivity: 153.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.74
ACD/LogD (pH 7.4): -2.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 489.8±3.0 cm3

Click to predict properties on the Chemicalize site


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