ChemSpider 2D Image | N-[Dihydroxy(phenyl)acetyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamide | C28H45N3O5

N-[Dihydroxy(phenyl)acetyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamide

  • Molecular FormulaC28H45N3O5
  • Average mass503.674 Da
  • Monoisotopic mass503.335907 Da
  • ChemSpider ID23150716

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Alaninamide, N-(2,2-dihydroxy-2-phenylacetyl)-L-leucyl-N-butyl-3-cyclohexyl-N-methyl- [ACD/Index Name]
N-(2,2-Dihydroxy-2-phénylacétyl)-L-leucyl-N-butyl-3-cyclohexyl-N-méthyl-L-alaninamide [French] [ACD/IUPAC Name]
N-[Dihydroxy(phenyl)acetyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamid [German] [ACD/IUPAC Name]
N-[Dihydroxy(phenyl)acetyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamide [ACD/IUPAC Name]
(S)-2-(2,2-Dihydroxy-2-phenyl-acetylamino)-4-methyl-pentanoic acid [(S)-1-(butyl-methyl-carbamoyl)-2-cyclohexyl-ethyl]-amide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 731.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.2±32.9 °C
Index of Refraction: 1.535
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2301.11
ACD/KOC (pH 5.5): 8872.91
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2293.31
ACD/KOC (pH 7.4): 8842.84
Polar Surface Area: 119 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 449.1±3.0 cm3

Click to predict properties on the Chemicalize site


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