ChemSpider 2D Image | tasiamide | C42H67N7O10

tasiamide

  • Molecular FormulaC42H67N7O10
  • Average mass830.022 Da
  • Monoisotopic mass829.494934 Da
  • ChemSpider ID553050

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

L-Proline, N-[(2S)-2-hydroxy-3-methyl-1-oxopentyl]-L-leucyl-N2-methyl-L-glutaminyl-L-isoleucylglycyl-N-methyl-D-phenylalanyl-, methyl ester [ACD/Index Name]
L-Proline, N-[(2S,3S)-2-hydroxy-3-methyl-1-oxopentyl]-L-leucyl-N2-methyl-L-glutaminyl-L-isoleucylglycyl-N-methyl-D-phenylalanyl-, methyl ester [ACD/Index Name]
Methyl N-[(2S,3S)-2-hydroxy-3-methylpentanoyl]-L-leucyl-N2-methyl-L-glutaminyl-L-isoleucylglycyl-N-methyl-D-phenylalanyl-L-prolinate [ACD/IUPAC Name]
Methyl-N-[(2S,3S)-2-hydroxy-3-methylpentanoyl]-L-leucyl-N2-methyl-L-glutaminyl-L-isoleucylglycyl-N-methyl-D-phenylalanyl-L-prolinat [German] [ACD/IUPAC Name]
N-[(2S,3S)-2-Hydroxy-3-méthylpentanoyl]-L-leucyl-N2-méthyl-L-glutaminyl-L-isoleucylglycyl-N-méthyl-D-phénylalanyl-L-prolinate de méthyle [French] [ACD/IUPAC Name]
tasiamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL451584/
methyl N-[(2R,3R)-2-hydroxy-3-methylpentanoyl]-D-leucyl-N2-methyl-D-glutaminyl-D-isoleucylglycyl-N-methyl-L-phenylalanyl-rel-D-prolinate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1072.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.7±3.0 kJ/mol
Flash Point: 602.4±34.3 °C
Index of Refraction: 1.540
Molar Refractivity: 219.5±0.3 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.18
ACD/KOC (pH 5.5): 589.81
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.18
ACD/KOC (pH 7.4): 589.81
Polar Surface Area: 238 Å2
Polarizability: 87.0±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 699.4±3.0 cm3

Click to predict properties on the Chemicalize site


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