Found 2 results

Search term: LJPJUTZCTDKKKL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Dimethyl {(2S)-2-methyl-1-oxo-3-phenyl-1-[(1-phenylethyl)amino]-2-propanyl}phosphonate | C20H26NO4P

Dimethyl {(2S)-2-methyl-1-oxo-3-phenyl-1-[(1-phenylethyl)amino]-2-propanyl}phosphonate

  • Molecular FormulaC20H26NO4P
  • Average mass375.398 Da
  • Monoisotopic mass375.159943 Da
  • ChemSpider ID30651197

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

{(2S)-2-Méthyl-1-oxo-3-phényl-1-[(1-phényléthyl)amino]-2-propanyl}phosphonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl {(2S)-2-methyl-1-oxo-3-phenyl-1-[(1-phenylethyl)amino]-2-propanyl}phosphonate [ACD/IUPAC Name]
Dimethyl-{(2S)-2-methyl-1-oxo-3-phenyl-1-[(1-phenylethyl)amino]-2-propanyl}phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(1S)-1-methyl-2-oxo-2-[(1-phenylethyl)amino]-1-(phenylmethyl)ethyl]-, dimethyl ester [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: 521.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 268.9±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 103.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 37.51
ACD/KOC (pH 5.5): 303.59
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 36.59
ACD/KOC (pH 7.4): 296.19
Polar Surface Area: 78 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 332.0±7.0 cm3

Click to predict properties on the Chemicalize site


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