ChemSpider 2D Image | N-(3-Hydroxy-2-methylbenzoyl)-L-valyl-N-[(2E,4S)-1-ethoxy-6-methyl-1-oxo-2-hepten-4-yl]-D-serinamide | C26H39N3O7

N-(3-Hydroxy-2-methylbenzoyl)-L-valyl-N-[(2E,4S)-1-ethoxy-6-methyl-1-oxo-2-hepten-4-yl]-D-serinamide

  • Molecular FormulaC26H39N3O7
  • Average mass505.604 Da
  • Monoisotopic mass505.278809 Da
  • ChemSpider ID62477174

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Serinamide, N-(3-hydroxy-2-methylbenzoyl)-L-valyl-N-[(1S,2E)-4-ethoxy-1-(2-methylpropyl)-4-oxo-2-buten-1-yl]- [ACD/Index Name]
N-(3-Hydroxy-2-methylbenzoyl)-L-valyl-N-[(2E,4S)-1-ethoxy-6-methyl-1-oxo-2-hepten-4-yl]-D-serinamid [German] [ACD/IUPAC Name]
N-(3-Hydroxy-2-methylbenzoyl)-L-valyl-N-[(2E,4S)-1-ethoxy-6-methyl-1-oxo-2-hepten-4-yl]-D-serinamide [ACD/IUPAC Name]
N-(3-Hydroxy-2-méthylbenzoyl)-L-valyl-N-[(2E,4S)-1-éthoxy-6-méthyl-1-oxo-2-heptén-4-yl]-D-sérinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 754.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 409.8±32.9 °C
Index of Refraction: 1.539
Molar Refractivity: 135.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.59
ACD/KOC (pH 5.5): 664.56
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 61.11
ACD/KOC (pH 7.4): 659.37
Polar Surface Area: 154 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 433.5±3.0 cm3

Click to predict properties on the Chemicalize site


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