ChemSpider 2D Image | [(1R)-1-Amino-3-phenylpropyl][(2S)-2-carbamoyl-4-methylpentyl]phosphinic acid | C16H27N2O3P

[(1R)-1-Amino-3-phenylpropyl][(2S)-2-carbamoyl-4-methylpentyl]phosphinic acid

  • Molecular FormulaC16H27N2O3P
  • Average mass326.371 Da
  • Monoisotopic mass326.175934 Da
  • ChemSpider ID58921988

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1R)-1-Amino-3-phenylpropyl][(2S)-2-carbamoyl-4-methylpentyl]phosphinic acid [ACD/IUPAC Name]
[(1R)-1-Amino-3-phenylpropyl][(2S)-2-carbamoyl-4-methylpentyl]phosphinsäure [German] [ACD/IUPAC Name]
Acide [(1R)-1-amino-3-phénylpropyl][(2S)-2-carbamoyl-4-méthylpentyl]phosphinique [French] [ACD/IUPAC Name]
Phosphinic acid, P-[(2S)-2-(aminocarbonyl)-4-methylpentyl]-P-[(1R)-1-amino-3-phenylpropyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 617.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 327.1±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 88.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 281.6±3.0 cm3

Click to predict properties on the Chemicalize site


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