ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]valyl-N-[(1E)-1-(methylsulfonyl)-1-hepten-3-yl]valinamide | C26H41N3O6S

N-[(Benzyloxy)carbonyl]valyl-N-[(1E)-1-(methylsulfonyl)-1-hepten-3-yl]valinamide

  • Molecular FormulaC26H41N3O6S
  • Average mass523.685 Da
  • Monoisotopic mass523.271606 Da
  • ChemSpider ID7982575

  • Double-bond stereo - Double-bond stereo

More details:

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

N-[(Benzyloxy)carbonyl]valyl-N-[(1E)-1-(methylsulfonyl)-1-hepten-3-yl]valinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]valyl-N-[(1E)-1-(methylsulfonyl)-1-hepten-3-yl]valinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]valyl-N-[(1E)-1-(méthylsulfonyl)-1-heptén-3-yl]valinamide [French] [ACD/IUPAC Name]
Valinamide, N-[(phenylmethoxy)carbonyl]valyl-N-[1-[(E)-2-(methylsulfonyl)ethenyl]pentyl]- [ACD/Index 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: 782.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 427.1±32.9 °C
Index of Refraction: 1.525
Molar Refractivity: 141.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.85
ACD/KOC (pH 5.5): 1012.09
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.79
ACD/KOC (pH 7.4): 1011.63
Polar Surface Area: 139 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 460.1±3.0 cm3

Click to predict properties on the Chemicalize site


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