ChemSpider 2D Image | N-Methyl-3-(2-thienyl)-L-valyl-N-[(3S,4E)-6-ethoxy-2,5-dimethyl-6-oxo-4-hexen-3-yl]-N,3-dimethyl-L-valinamide | C27H45N3O4S

N-Methyl-3-(2-thienyl)-L-valyl-N-[(3S,4E)-6-ethoxy-2,5-dimethyl-6-oxo-4-hexen-3-yl]-N,3-dimethyl-L-valinamide

  • Molecular FormulaC27H45N3O4S
  • Average mass507.729 Da
  • Monoisotopic mass507.313080 Da
  • ChemSpider ID8634324

  • 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

L-Valinamide, N-methyl-3-(2-thienyl)-L-valyl-N-[(1S,2E)-4-ethoxy-3-methyl-1-(1-methylethyl)-4-oxo-2-buten-1-yl]-N,3-dimethyl- [ACD/Index Name]
N-Methyl-3-(2-thienyl)-L-valyl-N-[(3S,4E)-6-ethoxy-2,5-dimethyl-6-oxo-4-hexen-3-yl]-N,3-dimethyl-L-valinamid [German] [ACD/IUPAC Name]
N-Methyl-3-(2-thienyl)-L-valyl-N-[(3S,4E)-6-ethoxy-2,5-dimethyl-6-oxo-4-hexen-3-yl]-N,3-dimethyl-L-valinamide [ACD/IUPAC Name]
N-Méthyl-3-(2-thiényl)-L-valyl-N-[(3S,4E)-6-éthoxy-2,5-diméthyl-6-oxo-4-hexén-3-yl]-N,3-diméthyl-L-valinamide [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: 642.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.1±31.5 °C
Index of Refraction: 1.514
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 39.50
ACD/KOC (pH 5.5): 143.24
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1463.73
ACD/KOC (pH 7.4): 5308.29
Polar Surface Area: 116 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 476.8±3.0 cm3

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