Found 107 results

Search term: MF = 'C_{28}H_{47}N_{3}O_{5}S'
ChemSpider 2D Image | N,beta,beta-Trimethyl-L-phenylalanyl-N-[(3S,4E)-5-(ethoxysulfonyl)-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamide | C28H47N3O5S

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

  • Molecular FormulaC28H47N3O5S
  • Average mass537.755 Da
  • Monoisotopic mass537.323669 Da
  • ChemSpider ID9679591

  • 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-[(1S,2E)-3-(ethoxysulfonyl)-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl- [ACD/Index Name]
N,β,β-Trimethyl-L-phenylalanyl-N-[(3S,4E)-5-(ethoxysulfonyl)-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamid [German] [ACD/IUPAC Name]
N,β,β-Trimethyl-L-phenylalanyl-N-[(3S,4E)-5-(ethoxysulfonyl)-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamide [ACD/IUPAC Name]
N,β,β-Triméthyl-L-phénylalanyl-N-[(3S,4E)-5-(éthoxysulfonyl)-2-méthyl-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: 691.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.8±31.5 °C
Index of Refraction: 1.519
Molar Refractivity: 150.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 46.13
ACD/KOC (pH 5.5): 155.16
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 1797.43
ACD/KOC (pH 7.4): 6046.40
Polar Surface Area: 113 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 494.7±3.0 cm3

Click to predict properties on the Chemicalize site


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