ChemSpider 2D Image | Nalpha-Benzoyl-N-[(4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxo-4-octanyl]-L-phenylalaninamide | C30H43N3O4

Nα-Benzoyl-N-[(4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxo-4-octanyl]-L-phenylalaninamide

  • Molecular FormulaC30H43N3O4
  • Average mass509.680 Da
  • Monoisotopic mass509.325348 Da
  • ChemSpider ID24676341

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzenepropanamide, α-(benzoylamino)-N-[(1S,2S,4R)-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-[(2-methylpropyl)amino]-5-oxopentyl]-, (αS)- [ACD/Index Name]
Nα-Benzoyl-N-[(4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxo-4-octanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-Benzoyl-N-[(4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxo-4-octanyl]-L-phenylalaninamide [ACD/IUPAC Name]
Nα-Benzoyl-N-[(4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-diméthyl-8-oxo-4-octanyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 793.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 433.6±32.9 °C
Index of Refraction: 1.543
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 888.12
ACD/KOC (pH 5.5): 4488.64
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 888.11
ACD/KOC (pH 7.4): 4488.64
Polar Surface Area: 108 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 466.2±3.0 cm3

Click to predict properties on the Chemicalize site


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