ChemSpider 2D Image | N,beta,beta-Trimethyl-L-phenylalanyl-N-[(3S,4E)-2,5-dimethyl-6-oxo-6-(2-thienylmethoxy)-4-hexen-3-yl]-N,3-dimethyl-L-valinamide | C32H47N3O4S

N,β,β-Trimethyl-L-phenylalanyl-N-[(3S,4E)-2,5-dimethyl-6-oxo-6-(2-thienylmethoxy)-4-hexen-3-yl]-N,3-dimethyl-L-valinamide

  • Molecular FormulaC32H47N3O4S
  • Average mass569.798 Da
  • Monoisotopic mass569.328735 Da
  • ChemSpider ID8350653

  • 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,β,β-trimethyl-L-phenylalanyl-N,3-dimethyl-N-[(1S,2E)-3-methyl-1-(1-methylethyl)-4-oxo-4-(2-thienylmethoxy)-2-buten-1-yl]- [ACD/Index Name]
N,β,β-Trimethyl-L-phenylalanyl-N-[(3S,4E)-2,5-dimethyl-6-oxo-6-(2-thienylmethoxy)-4-hexen-3-yl]-N,3-dimethyl-L-valinamid [German] [ACD/IUPAC Name]
N,β,β-Trimethyl-L-phenylalanyl-N-[(3S,4E)-2,5-dimethyl-6-oxo-6-(2-thienylmethoxy)-4-hexen-3-yl]-N,3-dimethyl-L-valinamide [ACD/IUPAC Name]
N,β,β-Triméthyl-L-phénylalanyl-N-[(3S,4E)-2,5-diméthyl-6-oxo-6-(2-thiénylméthoxy)-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: 701.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.8±32.9 °C
Index of Refraction: 1.540
Molar Refractivity: 163.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 233.04
ACD/KOC (pH 5.5): 494.73
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 9079.90
ACD/KOC (pH 7.4): 19276.38
Polar Surface Area: 116 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 521.0±3.0 cm3

Click to predict properties on the Chemicalize site


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