ChemSpider 2D Image | N-(3-Methylbutanoyl)-D-valyl-N-[(3R,4R)-1-ethoxy-3-hydroxy-6-methyl-1-oxo-4-heptanyl]-D-valinamide | C25H47N3O6

N-(3-Methylbutanoyl)-D-valyl-N-[(3R,4R)-1-ethoxy-3-hydroxy-6-methyl-1-oxo-4-heptanyl]-D-valinamide

  • Molecular FormulaC25H47N3O6
  • Average mass485.657 Da
  • Monoisotopic mass485.346497 Da
  • ChemSpider ID27472273

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

D-Valinamide, N-(3-methyl-1-oxobutyl)-D-valyl-N-[(1R,2R)-4-ethoxy-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]- [ACD/Index Name]
N-(3-Methylbutanoyl)-D-valyl-N-[(3R,4R)-1-ethoxy-3-hydroxy-6-methyl-1-oxo-4-heptanyl]-D-valinamid [German] [ACD/IUPAC Name]
N-(3-Methylbutanoyl)-D-valyl-N-[(3R,4R)-1-ethoxy-3-hydroxy-6-methyl-1-oxo-4-heptanyl]-D-valinamide [ACD/IUPAC Name]
N-(3-Méthylbutanoyl)-D-valyl-N-[(3R,4R)-1-éthoxy-3-hydroxy-6-méthyl-1-oxo-4-heptanyl]-D-valinamide [French] [ACD/IUPAC Name]
120849-36-7 [RN]
ISOVALERYL-VAL-VAL-STA-OET

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

Density: 1.0±0.1 g/cm3
Boiling Point: 725.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 392.5±32.9 °C
Index of Refraction: 1.481
Molar Refractivity: 131.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.65
ACD/KOC (pH 5.5): 951.23
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.65
ACD/KOC (pH 7.4): 951.23
Polar Surface Area: 134 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 463.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement