ChemSpider 2D Image | Methyl 1-(2-methylhexanoyl)-L-prolyl-N-methylphenylalanylglycyl-N-methyl-D-valyl-L-isoleucylglycyl-N-methylphenylalanyl-D-prolinate | C54H80N8O10

Methyl 1-(2-methylhexanoyl)-L-prolyl-N-methylphenylalanylglycyl-N-methyl-D-valyl-L-isoleucylglycyl-N-methylphenylalanyl-D-prolinate

  • Molecular FormulaC54H80N8O10
  • Average mass1001.261 Da
  • Monoisotopic mass1000.599731 Da
  • ChemSpider ID24686864

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

1-(2-Méthylhexanoyl)-L-prolyl-N-méthylphénylalanylglycyl-N-méthyl-D-valyl-L-isoleucylglycyl-N-méthylphénylalanyl-D-prolinate de méthyle [French] [ACD/IUPAC Name]
D-Proline, 1-(2-methyl-1-oxohexyl)-L-prolyl-N-methylphenylalanylglycyl-N-methyl-D-valyl-L-isoleucylglycyl-N-methylphenylalanyl-, methyl ester [ACD/Index Name]
Methyl 1-(2-methylhexanoyl)-L-prolyl-N-methylphenylalanylglycyl-N-methyl-D-valyl-L-isoleucylglycyl-N-methylphenylalanyl-D-prolinate [ACD/IUPAC Name]
Methyl-1-(2-methylhexanoyl)-L-prolyl-N-methylphenylalanylglycyl-N-methyl-D-valyl-L-isoleucylglycyl-N-methylphenylalanyl-D-prolinat [German] [ACD/IUPAC Name]
malevamide A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1156.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.4±3.0 kJ/mol
Flash Point: 653.4±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 271.8±0.3 cm3
#H bond acceptors: 18
#H bond donors: 3
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1066.06
ACD/KOC (pH 5.5): 5112.21
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1066.06
ACD/KOC (pH 7.4): 5112.20
Polar Surface Area: 215 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 849.4±3.0 cm3

Click to predict properties on the Chemicalize site


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